Identification
- Summary
Mannitol is a sugar alcohol used to test for asthma, to reduce intracranial and intraocular pressure, to measure glomerular filtration rate, and to manage pulmonary symptoms associated with cystic fibrosis.
- Brand Names
- Aridol, Bronchitol, Cystosol, Osmitrol, Sag-M
- Generic Name
- Mannitol
- DrugBank Accession Number
- DB00742
- Background
Mannitol is an osmotic diuretic that is metabolically inert in humans and occurs naturally, as a sugar or sugar alcohol, in fruits and vegetables. Mannitol elevates blood plasma osmolality, resulting in enhanced flow of water from tissues, including the brain and cerebrospinal fluid, into interstitial fluid and plasma. As a result, cerebral edema, elevated intracranial pressure, and cerebrospinal fluid volume and pressure may be reduced. Mannitol may also be used for the promotion of diuresis before irreversible renal failure becomes established; the promotion of urinary excretion of toxic substances; as an Antiglaucoma agent; and as a renal function diagnostic aid.
On October 30, 2020, mannitol was approved by the FDA as add-on maintenance therapy for the control of pulmonary symptoms associated with cystic fibrosis in adult patients and is currently marketed for this indication under the name BRONCHITOL® by Chiesi USA Inc.8
- Type
- Small Molecule
- Groups
- Approved, Investigational
- Structure
Structure for Mannitol (DB00742)
- Weight
- Average: 182.1718
Monoisotopic: 182.07903818 - Chemical Formula
- C6H14O6
- Synonyms
- (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexaol
- (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
- D-(-)-Mannitol
- D-Mannitol
- Manitol
- Manna Sugar
- Mannit
- Mannite
- Mannitol
- Mannitolum
- External IDs
- E 421
- E-421
- INS NO.421
- INS-421
Pharmacology
- Indication
Used for the promotion of diuresis before irreversible renal failure becomes established, the reduction of intracranial pressure, the treatment of cerebral edema, and the promotion of urinary excretion of toxic substances.
Mannitol is also indicated as add-on maintenance therapy for improving pulmonary function in cystic fibrosis patients aged 18 and over who have passed the BRONCHITOL tolerance test (BTT). It is recommended that patients take an orally inhaled short-acting bronchodilator 5-15 minutes prior to every inhaled mannitol dose.8
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Acute renal failure •••••••••••• Treatment of Cerebral edema •••••••••••• Adjunct therapy in maintenance of Cystic fibrosis (cf) •••••••••••• •••••• ••• •••••••••• ••••••••• •••• ••••• •••••• Management of Increased intraocular pressure •••••••••••• - Associated Therapies
- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Chemically, mannitol is an alcohol and a sugar, or a polyol; it is similar to xylitol or sorbitol. However, mannitol has a tendency to lose a hydrogen ion in aqueous solutions, which causes the solution to become acidic. For this reason, it is not uncommon to add a substance to adjust its pH, such as sodium bicarbonate. Mannitol is commonly used to increase urine production (diuretic). It is also used to treat or prevent medical conditions that are caused by an increase in body fluids/water (e.g., cerebral edema, glaucoma, kidney failure). Mannitol is frequently given along with other diuretics (e.g., furosemide, chlorothiazide) and/or IV fluid replacement.
Inhaled mannitol has the possibility to cause bronchospasm and hemoptysis; the occurrence of either should lead to discontinuation of inhaled mannitol.8
- Mechanism of action
Mannitol is an osmotic diuretic that is metabolically inert in humans and occurs naturally, as a sugar or sugar alcohol, in fruits and vegetables. Mannitol elevates blood plasma osmolality, resulting in enhanced flow of water from tissues, including the brain and cerebrospinal fluid, into interstitial fluid and plasma. As a result, cerebral edema, elevated intracranial pressure, and cerebrospinal fluid volume and pressure may be reduced. As a diurectic mannitol induces diuresis because it is not reabsorbed in the renal tubule, thereby increasing the osmolality of the glomerular filtrate, facilitating excretion of water, and inhibiting the renal tubular reabsorption of sodium, chloride, and other solutes. Mannitol promotes the urinary excretion of toxic materials and protects against nephrotoxicity by preventing the concentration of toxic substances in the tubular fluid. As an Antiglaucoma agent mannitol levates blood plasma osmolarity, resulting in enhanced flow of water from the eye into plasma and a consequent reduction in intraocular pressure. As a renal function diagnostic aid mannitol is freely filtered by the glomeruli with less than 10% tubular reabsorption. Therefore, its urinary excretion rate may serve as a measurement of glomerular filtration rate (GFR).
The exact mechanism of action of inhaled mannitol in the symptomatic maintenance treatment of cystic fibrosis remains unclear.7,8 It is hypothesized that mannitol produces an osmotic gradient across the airway epithelium that draws fluid into the extracellular space and alters the properties of the airway surface mucus layer, allowing easier mucociliary clearance.7
- Absorption
Approximately 7% of ingested mannitol is absorbed during gastrointestinal perfusion in uremic patients.
Inhalation of 635 mg of mannitol powder yields a plasma Cmax of 13.71 μg/mL in 1.5 hours (Tmax) and a mean systemic AUC of 73.15 μg*h/mL.8
- Volume of distribution
Mannitol administered intravenously has a volume of distribution of 34.3 L.8
- Protein binding
Not Available
- Metabolism
Mannitol is metabolized only slightly, if at all, to glycogen in the liver.
Hover over products below to view reaction partners
- Route of elimination
Mannitol is primarily excreted unchanged in the urine. Following oral inhalation of 635 mg of mannitol in healthy volunteers, 55% of the total dose was recovered unchanged in the urine; following oral or intravenous administration of 500 mg, the corresponding values were 54 and 87%, respectively.8
- Half-life
Mannitol has an elimination half-life of 4.7 hours following oral administration; the mean terminal elimination half-life is similar regardless of administration route (oral, inhalation, and intravenous.8
- Clearance
Intravenous administration of mannitol yields a total clearance of 5.1 L/hr and renal clearance of 4.4 L/hr.8
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Mannitol overdose may result in bronchoconstriction and should be counteracted using a short-acting bronchodilator and other symptomatic and supportive care, as necessary.8
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAbacavir Mannitol may increase the excretion rate of Abacavir which could result in a lower serum level and potentially a reduction in efficacy. Abaloparatide The risk or severity of adverse effects can be increased when Mannitol is combined with Abaloparatide. Abemaciclib The serum concentration of Abemaciclib can be increased when it is combined with Mannitol. Abrocitinib The serum concentration of Mannitol can be increased when it is combined with Abrocitinib. Acebutolol The risk or severity of adverse effects can be increased when Mannitol is combined with Acebutolol. - Food Interactions
- No interactions found.
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- International/Other Brands
- Anol (Astar) / Aridol (Pharmaxis) / Deltamannit (DeltaSelect) / Demanitol (Medifarma) / Diurecide (Lusa) / Isotol / Manicol / Manit (Pliva) / Manitol Mein (Fresenius) / Maniton / Mannigen / Mannisol (Human Co. Ltd.) / Mannisol A (Teva) / Mannit / Mannit-Lösung (Serag-Wiessner) / Mannite Actipharm (Actipharm) / Osmofundin (B. Braun) / Osmohale (Pharmaxis) / Osmosol (Beximco) / Osmosteril (Fresenius) / Resectisol (B. Braun)
- Brand Name Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Bronchitol Capsule 40 mg Respiratory (inhalation) Pharmaxis Europe Limited 2016-09-08 Not applicable EU 
Bronchitol Capsule 40 mg Respiratory (inhalation) Pharmaxis Europe Limited 2016-09-08 Not applicable EU Bronchitol Capsule 40 mg/1 Respiratory (inhalation) Chiesi USA, Inc. 2021-02-01 2025-09-30 US 
Mannitol Irrigant 5 g/100mL Irrigation B. Braun Medical Inc. 1978-02-10 Not applicable US Mannitol Injection, solution 12.5 g/50mL Intravenous General Injectables & Vaccines, Inc 2019-11-19 2023-12-01 US - Generic Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Mannitol Injection, solution 250 mg/1mL Intravenous Fresenius Kabi USA, LLC 2000-03-19 Not applicable US Mannitol Injection, solution 250 mg/1mL Intravenous AMERICAN REGENT, INC. 1990-09-30 2012-06-07 US - Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Curestem Cell Healer C20 Powder 0.06 g/2mL Topical DNK CORPORATION LTD. 2020-06-05 Not applicable US GD11 Rx SCM C5 Liquid 0.10 g/2mL Topical Coson Co., Ltd. 2017-07-01 Not applicable US MANNITOL 20% INTRAVENOUS INJECTION 500ML Injection 20 % Intravenous POLYLAB BIOTECH SDN. BHD. 2013-05-31 2019-05-10 Malaysia 
MANNITOL INTRAVENOUS INJECTION 20% Injection 20 g/100ml Intravenous JOYSON PTE. LTD. 1998-10-29 Not applicable Singapore 
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Additive Solution Sodium Adenine Glucose Mannitol (sagm) Mannitol (5.25 g) + Adenine (0.169 g) + Dextrose, unspecified form (9 g) + Sodium chloride (8.77 g) Solution Extracorporeal Maco Pharma 2016-08-22 Not applicable Canada 
Adsol Red Cell Preservation Mannitol (825 mg/110mL) + Adenine (30 mg/110mL) + Citric acid (209 mg/70mL) + D-glucose monohydrate (1.78 g/70mL) + D-glucose monohydrate (2.42 g/110mL) + Sodium chloride (990 mg/110mL) + Sodium citrate dihydrate (1.84 g/70mL) + Sodium phosphate, monobasic, monohydrate (155 mg/70mL) Kit; Solution Intravenous Fenwal, Inc. 2021-12-09 Not applicable US Adsol Red Cell Preservation Mannitol (825 mg/110mL) + Adenine (30 mg/110mL) + Citric acid (209 mg/70mL) + D-glucose monohydrate (1.78 g/70mL) + D-glucose monohydrate (2.42 g/110mL) + Sodium chloride (990 mg/110mL) + Sodium citrate dihydrate (1.84 g/70mL) + Sodium phosphate, monobasic, monohydrate (155 mg/70mL) Kit Intravenous Fenwal, Inc. 2017-02-28 Not applicable US Adsol Red Cell Preservation Mannitol (825 mg/110mL) + Adenine (30 mg/110mL) + Citric acid (209 mg/70mL) + D-glucose monohydrate (1.78 g/70mL) + D-glucose monohydrate (2.42 g/110mL) + Sodium chloride (990 mg/110mL) + Sodium citrate dihydrate (1.84 g/70mL) + Sodium phosphate, monobasic, monohydrate (155 mg/70mL) Kit Intravenous Fenwal, Inc. 2017-02-28 Not applicable US Adsol Red Cell Preservation Mannitol (825 mg/110mL) + Adenine (30 mg/110mL) + Citric acid (229 mg/70mL) + D-glucose monohydrate (1.78 g/70mL) + D-glucose monohydrate (2.42 g/110mL) + Sodium chloride (990 mg/110mL) + Sodium citrate dihydrate (1.84 g/70mL) + Sodium phosphate, monobasic, dihydrate (176 mg/70mL) Kit; Solution Intravenous Fenwal, Inc. 2022-06-10 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image %20 MANNITOL SUDAKI SOLUSYON 1000 ML (CAM SISE) SETLI Mannitol (20 %) Solution Intravenous POLİFARMA İLAÇ SAN. VE TİC. A.Ş. 2020-08-14 Not applicable Turkey 
%20 MANNITOL SUDAKI SOLUSYON 1000 ML (CAM SISE) SETSIZ Mannitol (20 %) Solution Intravenous POLİFARMA İLAÇ SAN. VE TİC. A.Ş. 2020-08-14 Not applicable Turkey %20 MANNITOL SUDAKI SOLUSYON 500 ML (CAM SISE) SETLI Mannitol (20 %) Solution Intravenous POLİFARMA İLAÇ SAN. VE TİC. A.Ş. 2020-08-14 Not applicable Turkey %20 MANNITOL SUDAKI SOLUSYON 500 ML (CAM SISE) SETSIZ Mannitol (20 %) Solution Intravenous POLİFARMA İLAÇ SAN. VE TİC. A.Ş. 2020-08-14 Not applicable Turkey Curestem Cell Healer C10 Program Mannitol (0.06 g/2mL) + Panthenol (0.25 g/5mL) Kit Topical DNK CORPORATION LTD. 2020-06-05 Not applicable US
Categories
- ATC Codes
- B05CX04 — Mannitol
- B05CX — Other irrigating solutions
- B05C — IRRIGATING SOLUTIONS
- B05 — BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- B — BLOOD AND BLOOD FORMING ORGANS
- A06AD — Osmotically acting laxatives
- A06A — DRUGS FOR CONSTIPATION
- A06 — DRUGS FOR CONSTIPATION
- A — ALIMENTARY TRACT AND METABOLISM
- R05CB — Mucolytics
- R05C — EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
- R05 — COUGH AND COLD PREPARATIONS
- R — RESPIRATORY SYSTEM
- B05BC — Solutions producing osmotic diuresis
- B05B — I.V. SOLUTIONS
- B05 — BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- B — BLOOD AND BLOOD FORMING ORGANS
- Drug Categories
- Agents causing hyperkalemia
- Alcohols
- Alimentary Tract and Metabolism
- Blood and Blood Forming Organs
- Blood Substitutes and Perfusion Solutions
- Carbohydrates
- Compounds used in a research, industrial, or household setting
- Cough and Cold Preparations
- Diagnostic Agents
- Diet, Food, and Nutrition
- Diuretics
- Diuretics, Osmotic
- Drugs for Constipation
- Drugs that are Mainly Renally Excreted
- Expectorants
- Flavoring Agents
- Food
- Food Additives
- Food Ingredients
- Hypotensive Agents
- i.v. Solutions
- Increased Diuresis
- Irrigating Solutions
- Kidney Function
- Laxatives
- Natriuretic Agents
- Nephrotoxic agents
- Osmotic Activity
- Osmotic Laxatives
- P-glycoprotein substrates
- Physiological Phenomena
- Solutions Producing Osmotic Diuresis
- Sugar Alcohols
- Sweetening Agents
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Sugar alcohols
- Alternative Parents
- Monosaccharides / Secondary alcohols / Polyols / Primary alcohols / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic acyclic compound / Hydrocarbon derivative / Monosaccharide / Polyol / Primary alcohol / Secondary alcohol / Sugar alcohol
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- mannitol (CHEBI:16899)
- Affected organisms
- Humans and other mammals
Chemical Identifiers
- UNII
- 3OWL53L36A
- CAS number
- 69-65-8
- InChI Key
- FBPFZTCFMRRESA-KVTDHHQDSA-N
- InChI
- InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
- IUPAC Name
- (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
- SMILES
- OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
References
- Synthesis Reference
Walter M. Kruse, "Process for preparing mannitol from glucose." U.S. Patent US4029878, issued August, 1956.
US4029878- General References
- Cruz J, Minoja G, Okuchi K: Improving clinical outcomes from acute subdural hematomas with the emergency preoperative administration of high doses of mannitol: a randomized trial. Neurosurgery. 2001 Oct;49(4):864-71. [Article]
- Cruz J, Minoja G, Okuchi K: Major clinical and physiological benefits of early high doses of mannitol for intraparenchymal temporal lobe hemorrhages with abnormal pupillary widening: a randomized trial. Neurosurgery. 2002 Sep;51(3):628-37; discussion 637-8. [Article]
- Cruz J, Minoja G, Okuchi K, Facco E: Successful use of the new high-dose mannitol treatment in patients with Glasgow Coma Scale scores of 3 and bilateral abnormal pupillary widening: a randomized trial. J Neurosurg. 2004 Mar;100(3):376-83. [Article]
- Roberts I, Smith R, Evans S: Doubts over head injury studies. BMJ. 2007 Feb 24;334(7590):392-4. [Article]
- Wakai A, Roberts I, Schierhout G: Mannitol for acute traumatic brain injury. Cochrane Database Syst Rev. 2005 Oct 19;(4):CD001049. [Article]
- Wang YM, van Eys J: Nutritional significance of fructose and sugar alcohols. Annu Rev Nutr. 1981;1:437-75. [Article]
- Southern KW, Clancy JP, Ranganathan S: Aerosolized agents for airway clearance in cystic fibrosis. Pediatr Pulmonol. 2019 Jun;54(6):858-864. doi: 10.1002/ppul.24306. Epub 2019 Mar 18. [Article]
- FDA Approved Drug Products: BRONCHITOL (mannitol) oral inhalation powder [Link]
- External Links
- Human Metabolome Database
- HMDB0000765
- KEGG Drug
- D00062
- KEGG Compound
- C00392
- PubChem Compound
- 6251
- PubChem Substance
- 46506446
- ChemSpider
- 6015
- BindingDB
- 50142798
- 6628
- ChEBI
- 16899
- ChEMBL
- CHEMBL689
- ZINC
- ZINC000002041302
- Therapeutic Targets Database
- DAP000874
- PharmGKB
- PA450320
- PDBe Ligand
- MTL
- RxList
- RxList Drug Page
- Drugs.com
- Drugs.com Drug Page
- Wikipedia
- Mannitol
- PDB Entries
- 1m2w / 1p6k / 1rs6 / 1rs7 / 1zzq / 1zzu / 2vfu / 3n62 / 3n65 / 3n66 … show 7 more
- FDA label
- Download (50 KB)
- MSDS
- Download (72.1 KB)
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 4 Completed Not Available Bowel preparation therapy 1 4 Completed Not Available Brain Swelling 1 4 Completed Diagnostic Asthma 1 4 Completed Diagnostic Food Allergy 1 4 Completed Diagnostic Ureteral Patency 1
Pharmacoeconomics
- Manufacturers
- B braun medical inc
- Hospira inc
- Miles laboratories inc
- Abraxis pharmaceutical products
- App pharmaceuticals llc
- Astrazeneca lp
- International medication system
- Luitpold pharmaceuticals inc
- Merck and co inc
- Watson laboratories inc
- Baxter healthcare corp
- Packagers
- American Regent
- APP Pharmaceuticals
- B. Braun Melsungen AG
- Baxter International Inc.
- Hospira Inc.
- Luitpold Pharmaceuticals Inc.
- Mallinckrodt Inc.
- Organon Pharmaceuticals
- Dosage Forms
Form Route Strength Solution Intravenous 10 % Solution Intravenous 20 % Solution Intravenous 5 % Solution Extracorporeal Kit; solution Intravenous Solution Intravenous Kit Respiratory (inhalation) Kit; powder Respiratory (inhalation) Solution 20 % Solution Intravenous Capsule Respiratory (inhalation) 40 mg/1 Capsule Respiratory (inhalation) 40 mg Powder, metered Respiratory (inhalation) 40 MG Kit Intravenous Powder Topical 0.06 g/2mL Kit Topical Liquid Irrigation Solution Intravenous 20.0 g Liquid Topical 0.10 g/2mL Injection Intravenous Injection, solution Parenteral 20 % Solution Intravenous 100 g Solution, concentrate Intravenous 20 g Injection Parenteral 15 % Injection, solution Intravenous 10 g/100mL Injection, solution Intravenous 12.5 g/50mL Injection, solution Intravenous 15 g/100mL Injection, solution Intravenous 20 g/100mL Injection, solution Intravenous 250 mg/1mL Injection, solution Intravenous 5 g/100mL Irrigant Irrigation 5 g/100mL Injection, solution Intravenous 20 % Injection Intravenous 20 % Liquid Intravenous 100 mg / mL Liquid Intravenous 250 mg / mL Liquid Intravenous 50 mg / mL Solution Intravenous 25 % Injection Intravenous 20 g/100ml Injection, solution Parenteral 10 % Injection, solution Parenteral 18 % Injection, solution Parenteral 5 % Injection, solution Intravenous Injection, solution Intravenous 10 % Injection, solution Intravenous 18 % Injection, solution Intravenous 5 % Injection, solution Parenteral Solution Irrigation 5 % Solution Extracorporeal; Intrabiliary; Intracardiac Injection Intravenous 17.5 g/100ml Solution Parenteral 20.000 g Solution Intravenous 20 g Cream Topical Liquid Irrigation 5 % Solution Irrigation 5 g/100ml Solution Unknown Injection Parenteral 20 g Solution Irrigation Irrigant Urethral - Prices
Unit description Cost Unit Osmitrol 20% iv solution 0.15USD ml Osmitrol 10% iv solution 0.07USD ml Osmitrol 15% iv solution 0.07USD ml Mannitol powder 0.05USD g Mannitol 15% iv solution 0.04USD ml Mannitol 20% iv solution 0.04USD ml Mannitol 25% vial 0.03USD ml Osmitrol 5% iv solution 0.03USD ml Mannitol 10% iv solution 0.02USD ml Mannitol 5% iv solution 0.02USD ml Resectisol 5% solution 0.01USD ml DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 168 °C PhysProp boiling point (°C) 290-295 °C at 3.50E+00 mm Hg PhysProp water solubility 2.16E+005 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992) logP -3.10 HANSCH,C ET AL. (1995) Caco2 permeability -6.21 ADME Research, USCD pKa 13.5 (at 25 °C) BUDAVARI,S ET AL. (1996) - Predicted Properties
Property Value Source Water Solubility 229.0 mg/mL ALOGPS logP -2.7 ALOGPS logP -3.7 Chemaxon logS 0.1 ALOGPS pKa (Strongest Acidic) 12.59 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 121.38 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 38.4 m3·mol-1 Chemaxon Polarizability 17.04 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.6525 Blood Brain Barrier - 0.5997 Caco-2 permeable - 0.8958 P-glycoprotein substrate Non-substrate 0.662 P-glycoprotein inhibitor I Non-inhibitor 0.9535 P-glycoprotein inhibitor II Non-inhibitor 0.9551 Renal organic cation transporter Non-inhibitor 0.9252 CYP450 2C9 substrate Non-substrate 0.8706 CYP450 2D6 substrate Non-substrate 0.878 CYP450 3A4 substrate Non-substrate 0.7431 CYP450 1A2 substrate Non-inhibitor 0.824 CYP450 2C9 inhibitor Non-inhibitor 0.9419 CYP450 2D6 inhibitor Non-inhibitor 0.9412 CYP450 2C19 inhibitor Non-inhibitor 0.9232 CYP450 3A4 inhibitor Non-inhibitor 0.9402 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.958 Ames test Non AMES toxic 0.9132 Carcinogenicity Non-carcinogens 0.7823 Biodegradation Ready biodegradable 0.8595 Rat acute toxicity 1.1260 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9709 hERG inhibition (predictor II) Non-inhibitor 0.9329
Spectra
- Mass Spec (NIST)
- Download (9.14 KB)
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 141.0000088 predictedDarkChem Lite v0.1.0 [M-H]- 141.0375088 predictedDarkChem Lite v0.1.0 [M-H]- 140.4352088 predictedDarkChem Lite v0.1.0 [M-H]- 140.7223088 predictedDarkChem Lite v0.1.0 [M-H]- 141.4147088 predictedDarkChem Lite v0.1.0 [M-H]- 143.92418 predictedDeepCCS 1.0 (2019) [M+H]+ 140.8955088 predictedDarkChem Lite v0.1.0 [M+H]+ 140.3376088 predictedDarkChem Lite v0.1.0 [M+H]+ 141.5336088 predictedDarkChem Lite v0.1.0 [M+H]+ 140.7346088 predictedDarkChem Lite v0.1.0 [M+H]+ 143.1315088 predictedDarkChem Lite v0.1.0 [M+H]+ 146.31975 predictedDeepCCS 1.0 (2019) [M+Na]+ 140.6177088 predictedDarkChem Lite v0.1.0 [M+Na]+ 142.322217 predictedDarkChem Standard v0.1.0 [M+Na]+ 140.2490088 predictedDarkChem Lite v0.1.0 [M+Na]+ 140.9211088 predictedDarkChem Lite v0.1.0 [M+Na]+ 140.9555088 predictedDarkChem Lite v0.1.0 [M+Na]+ 152.23225 predictedDeepCCS 1.0 (2019)
Enzymes
- Kind
- Protein
- Organism
- Pseudomonas fluorescens
- Pharmacological action
- Unknown
- Actions
- Substrate
- General Function
- Nucleotide binding
- Specific Function
- Not Available
- Gene Name
- mtlD
- Uniprot ID
- O08355
- Uniprot Name
- Mannitol dehydrogenase
- Molecular Weight
- 54497.41 Da
References
- Wang YM, van Eys J: Nutritional significance of fructose and sugar alcohols. Annu Rev Nutr. 1981;1:437-75. [Article]
Drug created at June 13, 2005 13:24 / Updated at February 20, 2024 23:55