Sodium acetate

Identification

Summary

Sodium acetate is a compound used for electrolyte replenishment and total parenteral nutrition (TPN) therapy.

Brand Names

Bss, Bss Ophthalmic Solution, Citrasate, Clinimix E 2.75/5, Hemosate Ultra, Hyperlyte, Intersol, Isolyte P, Isolyte S, Isolyte S pH 7.4, Isoplate, Normosol-R, Olimel, Periolimel, Physiolyte, Physiosol, Plasma-lyte, Plasma-lyte 148, Plasma-lyte 148 In 5 % Dextrose, Plasma-lyte R, Plasmalyte A, Procalamine 3

Generic Name

Sodium acetate

DrugBank Accession Number

DB09395

Background

Sodium Acetate is chemically designated CH3COONa, a hygroscopic powder very soluble in water. Sodium acetate could be used as additives in food, industry, concrete manufacture, heating pads and in buffer solutions. Medically, sodium acetate is important component as an electrolyte replenisher when given intravenously. It is mainly indicated to correct sodium levels in hyponatremic patients. It can be used also in metabolic acidosis and for urine alkalinization.

Type

Small Molecule

Groups

Approved, Investigational

Structure

Download

MOLSDFPDBSMILESInChI

Similar Structures

Structure for Sodium acetate (DB09395)

×

Close

Weight

Average: 82.0338
Monoisotopic: 82.003074015

Chemical Formula

C₂H₃NaO₂

Synonyms

• Acetato de sodio
• acetic acid, sodium salt
• Acetic acid, sodium salt (1:1)
• anhydrous sodium acetate
• Natriumazetat
• Sodio acetato
• Sodium acetate anhydrous
• Sodium acetate, anhydrous
• Sodium acetate,anhydrous

External IDs

• Fema no. 3024

Poor quality drug data slowing you down?

Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.

Download eBook

Poor quality drug data slowing you down?

Download eBook

Pharmacology

Indication

Injection, USP 40 mEq is indicated as a source of sodium, for addition to large volume intravenous fluids to prevent or correct hyponatremia in patients with restricted or no oral intake. It is also useful as an additive for preparing specific intravenous fluid formulas when the needs of the patient cannot be met by standard electrolyte or nutrient solutions. Sodium acetate and other bicarbonate precursors are alkalinising agents, and can be used to correct metabolic acidosis, or for alkalinisation of the urine.

Reduce drug development failure rates

Build, train, & validate machine-learning models
with evidence-based and structured datasets.

See how

Build, train, & validate predictive machine-learning models with structured datasets.

See how

Associated Conditions

Indication Type	Indication	Combined Product Details	Approval Level	Age Group	Patient Characteristics	Dose Form
Used in combination to treat	Hyponatremia	Combination Product in combination with: Sodium chloride (DB09153), Lactic acid (DB04398)	••••••••••••	•••••		•••••••••• •••••••••• ••••••••• •••••••••••
Treatment of	Hyponatremia		••••••••••••			•••••••••• ••••••••• •••••••••••
Prophylaxis of	Hyponatremia		••••••••••••			•••••••••• ••••••••• •••••••••••
Used in combination to treat	Hypovolaemia	Combination Product in combination with: Magnesium chloride (DB09407), Hydroxyethyl Starch (DB09106), Potassium chloride (DB00761), Sodium chloride (DB09153)	••••••••••••	•••••• •••••••		••••••••
Used in combination to treat	Mild, moderate metabolic acidosis	Combination Product in combination with: Sodium chloride (DB09153), Lactic acid (DB04398)	••••••••••••	•••••		•••••••••• •••••••••• ••••••••• •••••••••••

Create Account

Associated Therapies

• Irrigation therapy
• Nutritional supplementation
• Oral rehydration therapy
• Parenteral Nutrition
• Parenteral rehydration therapy
• Total parenteral nutrition therapy
• Priming solution for infusion

Contraindications & Blackbox Warnings

Prevent Adverse Drug Events Today

Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.

Learn more

Avoid life-threatening adverse drug events with our Clinical API

Learn more

Pharmacodynamics

Sodium is the principal cation of extracellular fluid. It comprises more than 90% of total cations at its normal plasma concentration of approximately 140 mEq/liter. The sodium ion exerts a primary role in controlling total body water and its distribution. Acetate ions acts as hydrogen ion acceptor which is alternative to bicarbonate.

Mechanism of action

It works as a source of sodium ions especially in cases of hyponatremic patients. Sodium has a primary role in regulating extracellular fluid volume. It controls water distribution, fluid and electrolyte balance and the osmotic pressure of body fluids. Sodium is also involved in nerve conduction, muscle contraction, acid-base balance and cell nutrient uptake.

Absorption

It is readily available in the circulation after IV administration.

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

In liver, sodium acetate is being metabolized into bicarbonate. To form bicarbonate, acetate is slowly hydrolyzed to carbon dioxide and water, which are then converted to bicarbonate by the addition of a hydrogen ion.

Route of elimination

Both the sodium and bicarbonate ions are excreted mainly in the urine. Some sodium is excreted in the feces, and small amounts may also be excreted in saliva, sweat, bile and pancreatic secretions.

Half-life

Not Available

Clearance

Not Available

Adverse Effects

Improve decision support & research outcomes

With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!

See the data

Improve decision support & research outcomes with our structured adverse effects data.

See a data sample

Toxicity

LD50: 25956 mg/kg (Rat.)

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.

• Approved
• Vet approved
• Nutraceutical
• Illicit
• Withdrawn
• Investigational
• Experimental
• All Drugs

Drug	Interaction
Integrate drug-drug interactions in your software
Abacavir	Abacavir may decrease the excretion rate of Sodium acetate which could result in a higher serum level.
Aceclofenac	Aceclofenac may decrease the excretion rate of Sodium acetate which could result in a higher serum level.
Acemetacin	Acemetacin may decrease the excretion rate of Sodium acetate which could result in a higher serum level.
Acetaminophen	Acetaminophen may decrease the excretion rate of Sodium acetate which could result in a higher serum level.
Acetazolamide	Acetazolamide may increase the excretion rate of Sodium acetate which could result in a lower serum level and potentially a reduction in efficacy.

Food Interactions

No interactions found.

Products

Drug product information from 10+ global regions

Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.

Access now

Access drug product information from over 10 global regions.

Access now

Product Ingredients

Ingredient	UNII	CAS	InChI Key
Sodium acetate trihydrate	4550K0SC9B	6131-90-4	AYRVGWHSXIMRAB-UHFFFAOYSA-M

Active Moieties

Name	Kind	UNII	CAS	InChI Key
Sodium cation	ionic	LYR4M0NH37	17341-25-2	FKNQFGJONOIPTF-UHFFFAOYSA-N
Acetic acid	prodrug	Q40Q9N063P	64-19-7	QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetate	ionic	569DQM74SC	71-50-1	QTBSBXVTEAMEQO-UHFFFAOYSA-M

Brand Name Prescription Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
16.4% Sodium Acetate Injection, USP	Solution	16.4 %	Intravenous	Baxter Laboratories	2003-02-13	2011-05-10
Sodium Acetate	Injection, solution, concentrate	164 mg/1mL	Intravenous	Hospira, Inc.	2013-11-19	Not applicable
Sodium Acetate	Injection, solution	200 meq/100mL	Intravenous	Exela Pharma Sciences, LLC	2022-07-01	Not applicable
Sodium Acetate	Injection, solution, concentrate	164 mg/1mL	Intravenous	American Regent	1990-09-30	2013-03-01
Sodium Acetate	Injection, solution, concentrate	3.28 g/20mL	Intravenous	Hospira, Inc.	2014-03-05	Not applicable

Generic Prescription Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
Sodium Acetate	Injection, solution, concentrate	164 mg/1mL	Intravenous	Woodward Pharma Services Llc	2021-06-01	Not applicable
Sodium Acetate	Injection, solution, concentrate	328 mg/1mL	Intravenous	Woodward Pharma Services Llc	2021-06-01	Not applicable
Sodium Acetate	Injection, solution, concentrate	4 meq/100mL	Intravenous	Fresenius Kabi USA, LLC	2017-10-30	Not applicable
Sodium Acetate	Injection, solution, concentrate	164 mg/1mL	Intravenous	Woodward Pharma Services Llc	2021-06-01	Not applicable

Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose	Sodium acetate (170 mg / 100 mL) + Alanine (520 mg / 100 mL) + Arginine (290 mg / 100 mL) + Dextrose, unspecified form (10 g / 100 mL) + Dipotassium phosphate (130.5 mg / 100 mL) + Glycine (260 mg / 100 mL) + Histidine (120 mg / 100 mL) + Isoleucine (150 mg / 100 mL) + Leucine (182.5 mg / 100 mL) + Lysine hydrochloride (145 mg / 100 mL) + Magnesium chloride (25.5 mg / 100 mL) + Methionine (100 mg / 100 mL) + Phenylalanine (140 mg / 100 mL) + Proline (170 mg / 100 mL) + Serine (125 mg / 100 mL) + Sodium chloride (29.3 mg / 100 mL) + Threonine (105 mg / 100 mL) + Tryptophan (45 mg / 100 mL) + Tyrosine (10 mg / 100 mL) + Valine (145 mg / 100 mL)	Solution	Intravenous	Baxter Corporation Clintec Nutrition Division	1996-12-31	2015-08-05
2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Clinimix	Sodium acetate (170 mg / 100 mL) + Alanine (520 mg / 100 mL) + Arginine (260 mg / 100 mL) + Dextrose, unspecified form (10 g / 100 mL) + Dipotassium phosphate (130.5 mg / 100 mL) + Glycine (520 mg / 100 mL) + Histidine (110 mg / 100 mL) + Isoleucine (120 mg / 100 mL) + L-Leucine hydrochloride (155 mg / 100 mL) + Lysine hydrochloride (145 mg / 100 mL) + Magnesium chloride (25.5 mg / 100 mL) + Methionine (145 mg / 100 mL) + Phenylalanine hydrochloride (155 mg / 100 mL) + Proline (105 mg / 100 mL) + Sodium chloride (29.3 mg / 100 mL) + Threonine (105 mg / 100 mL) + Tryptophan (45 mg / 100 mL) + Tyrosine (10 mg / 100 mL) + Valine (115 mg / 100 mL)	Solution	Intravenous	Baxter Corporation Clintec Nutrition Division	1993-12-31	2015-08-05
2.5%travasol Amino Acid InJ.W.eleC.W.25%dex	Sodium acetate (170 mg / 100 mL) + Alanine (520 mg / 100 mL) + Arginine (290 mg / 100 mL) + Dextrose, unspecified form (25 g / 100 mL) + Dipotassium phosphate (130.5 mg / 100 mL) + Glycine (260 mg / 100 mL) + Histidine (120 mg / 100 mL) + Isoleucine (150 mg / 100 mL) + Leucine (182.5 mg / 100 mL) + Lysine hydrochloride (145 mg / 100 mL) + Magnesium chloride (25.5 mg / 100 mL) + Methionine (100 mg / 100 mL) + Phenylalanine (140 mg / 100 mL) + Proline (170 mg / 100 mL) + Serine (125 mg / 100 mL) + Sodium chloride (29.3 mg / 100 mL) + Threonine (105 mg / 100 mL) + Tryptophan (45 mg / 100 mL) + Tyrosine (10 mg / 100 mL) + Valine (145 mg / 100 mL)	Liquid	Intravenous	Clintec Nutrition Company	1996-07-30	1998-08-13
2.75% Travas. Amino Acid InJ.W.elecw.25%dex	Sodium acetate (215.5 mg / 100 mL) + Alanine (570 mg / 100 mL) + Arginine (316 mg / 100 mL) + Dextrose, unspecified form (25 g / 100 mL) + Dipotassium phosphate (261 mg / 100 mL) + Glycine (283 mg / 100 mL) + Histidine (132 mg / 100 mL) + Isoleucine (165 mg / 100 mL) + Leucine (201 mg / 100 mL) + Lysine hydrochloride (159.5 mg / 100 mL) + Magnesium chloride (51 mg / 100 mL) + Methionine (110 mg / 100 mL) + Phenylalanine (154 mg / 100 mL) + Proline (187 mg / 100 mL) + Serine (137.5 mg / 100 mL) + Sodium chloride (112 mg / 100 mL) + Threonine (115.5 mg / 100 mL) + Tryptophan (49.5 mg / 100 mL) + Tyrosine (11 mg / 100 mL) + Valine (159.5 mg / 100 mL)	Liquid	Intravenous	Clintec Nutrition Company	1996-07-30	1998-08-13
2.75% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose Quickmix	Sodium acetate (215.5 mg / 100 mL) + Alanine (570 mg / 100 mL) + Arginine (285 mg / 100 mL) + Dextrose, unspecified form (25 g / 100 mL) + Dipotassium phosphate (261 mg / 100 mL) + Glycine (570 mg / 100 mL) + Histidine (120.5 mg / 100 mL) + Isoleucine (131.5 mg / 100 mL) + L-Leucine hydrochloride (170 mg / 100 mL) + Lysine hydrochloride (159 mg / 100 mL) + Magnesium chloride (51 mg / 100 mL) + Methionine (159 mg / 100 mL) + Phenylalanine hydrochloride (170 mg / 100 mL) + Proline (115 mg / 100 mL) + Sodium chloride (112 mg / 100 mL) + Threonine (115 mg / 100 mL) + Tryptophan (49.5 mg / 100 mL) + Tyrosine (11 mg / 100 mL) + Valine (126 mg / 100 mL)	Solution	Intravenous	Baxter Corporation Clintec Nutrition Division	1996-02-02	2007-08-02

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Clinimix	Sodium acetate trihydrate (2.16 g/1L) + Alanine (5.70 g/1L) + Arginine (3.17 g/1L) + Calcium chloride dihydrate (0.33 g/1L) + D-glucose monohydrate (100.00 g/1L) + Dipotassium phosphate (2.61 g/1L) + Glycine (2.84 g/1L) + Histidine (1.32 g/1L) + Isoleucine (1.65 g/1L) + Leucine (2.01 g/1L) + Lysine (2.00 g/1L) + Magnesium chloride hexahydrate (0.51 g/1L) + Methionine (1.10 g/1L) + Phenylalanine (1.54 g/1L) + Proline (1.87 g/1L) + Serine (1.38 g/1L) + Sodium chloride (1.12 g/1L) + Threonine (1.16 g/1L) + Tryptophan (0.50 g/1L) + Tyrosine (0.11 g/1L) + Valine (1.60 g/1L)	Solution	Intravenous	Baxter Healthcare Corporation	2017-10-25	2019-11-30
Clinimix	Sodium acetate trihydrate (5.94 g/2L) + Alanine (17.60 g/2L) + Arginine (9.78 g/2L) + Calcium chloride dihydrate (0.66 g/2L) + D-glucose monohydrate (300.00 g/2L) + Dipotassium phosphate (5.22 g/2L) + Glycine (8.76 g/2L) + Histidine (4.08 g/2L) + Isoleucine (5.10 g/2L) + Leucine (6.20 g/2L) + Lysine (4.93 g/2L) + Magnesium chloride hexahydrate (1.02 g/2L) + Methionine (3.40 g/2L) + Phenylalanine (4.76 g/2L) + Proline (5.78 g/2L) + Serine (4.25 g/2L) + Sodium chloride (1.54 g/2L) + Threonine (3.57 g/2L) + Tryptophan (1.53 g/2L) + Tyrosine (0.34 g/2L) + Valine (4.93 g/2L)	Solution	Intravenous	Baxter Healthcare Corporation	2017-10-25	2019-11-30
Clinimix	Sodium acetate trihydrate (2.16 g/1L) + Alanine (5.70 g/1L) + Arginine (3.17 g/1L) + Calcium chloride dihydrate (0.33 g/1L) + D-glucose monohydrate (75.00 g/1L) + Dipotassium phosphate (2.61 g/1L) + Glycine (2.84 g/1L) + Histidine (1.32 g/1L) + Isoleucine (1.65 g/1L) + Leucine (2.01 g/1L) + Lysine (2.00 g/1L) + Magnesium chloride hexahydrate (0.51 g/1L) + Methionine (1.10 g/1L) + Phenylalanine (1.54 g/1L) + Proline (1.87 g/1L) + Serine (1.38 g/1L) + Sodium chloride (1.12 g/1L) + Threonine (1.16 g/1L) + Tryptophan (0.50 g/1L) + Tyrosine (0.11 g/1L) + Valine (1.60 g/1L)	Solution	Intravenous	Baxter Healthcare Corporation	2017-10-25	2019-11-30
Cytosol Ophthalmics - Balanced Salt Solution	Sodium acetate trihydrate (3.90 mg/1mL) + Calcium chloride dihydrate (48 mg/1mL) + Magnesium chloride hexahydrate (30 mg/1mL) + Potassium chloride (75 mg/1mL) + Sodium chloride (6.40 mg/1mL) + Sodium citrate dihydrate (1.70 mg/1mL)	Solution	Irrigation	Biomet Biologics	2010-01-01	2010-09-04
Hyperlyte CR	Sodium acetate trihydrate (0.68 g/20mL) + Calcium chloride dihydrate (0.37 g/20mL) + Magnesium chloride hexahydrate (0.51 g/20mL) + Potassium acetate (1.96 g/20mL) + Sodium chloride (1.17 g/20mL)	Injection, solution, concentrate	Intravenous	B. Braun Medical Inc.	2012-04-12	Not applicable

Categories

ATC Codes

B05XA08 — Sodium acetate

• B05XA — Electrolyte solutions
• B05X — I.V. SOLUTION ADDITIVES
• B05 — BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
• B — BLOOD AND BLOOD FORMING ORGANS

Drug Categories

• Acetates
• Acids, Acyclic
• Blood and Blood Forming Organs
• Blood Substitutes and Perfusion Solutions
• Drugs that are Mainly Renally Excreted
• Electrolyte Solutions
• I.V. Solution Additives
• Replacement Preparations

Chemical TaxonomyProvided by Classyfire

Description

This compound belongs to the class of organic compounds known as acetate salts. These are organic compounds containing acetic acid as its acid component.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Acetate salts

Alternative Parents

Monocarboxylic acids and derivatives / Carboxylic acids / Organic sodium salts / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds

Substituents

Acetate salt / Aliphatic acyclic compound / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic alkali metal salt / Organic oxide / Organic oxygen compound / Organic salt

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

organic sodium salt (CHEBI:32954)

Affected organisms

• Humans and other mammals

Chemical Identifiers

UNII

NVG71ZZ7P0

CAS number

127-09-3

InChI Key

VMHLLURERBWHNL-UHFFFAOYSA-M

InChI

InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1

IUPAC Name

sodium acetate

SMILES

[Na+].CC([O-])=O

References

General References

1. rxlist [Link]
2. monograph [Link]

External Links

PubChem Compound

517045

PubChem Substance

347827840

ChemSpider

29105

RxNav

267453

ChEBI

32954

ChEMBL

CHEMBL1354

PharmGKB

PA451369

Wikipedia

Sodium_acetate

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	Treatment	Hypovolaemia	1
4	Not Yet Recruiting	Treatment	Shock	1
4	Recruiting	Prevention	Intestinal Obstruction / Ischemia, Mesenteric / Laparotomy	1
4	Recruiting	Treatment	Hypotension During Surgery	1
4	Terminated	Supportive Care	Cancer-related Malnutrition	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Solution	Intravenous	16.4 %
Liquid	Hemodialysis
Solution	Intravenous	10.50 g/1000ml
Injection	Intravenous	0.5 g/l
Injection	Intravenous	0.25 g/1000ml
Solution	Irrigation; Parenteral
Solution	Intraocular
Solution	Ophthalmic
Solution	Hemodialysis
Injection, solution	Parenteral
Solution	Irrigation
Solution	Intravenous; Subcutaneous
Emulsion	Intravenous	0.468 g
Liquid	Intraocular
Solution	Intravenous
Emulsion	Parenteral	20.000 g
Injection	Intravenous	1.6 g/l
Liquid	Intravenous
Injection, emulsion; injection, solution	Intravenous
Emulsion	Parenteral
Emulsion	Intravenous
Injection, solution
Injection, emulsion	Intravenous	4.656 g/1000ml
Injection, emulsion	Intravenous	6.792 g/1000ml
Injection, solution, concentrate	Intravenous
Injection, emulsion	Intravenous
Emulsion	Intravenous	4 g
Solution	Intraocular; Ophthalmic
Emulsion	Intravenous	3 g
Irrigant	Irrigation
Injection, solution	Intravenous
Injection	Intravenous	30 mg/100ml
Tablet	Oral
Injection	Intravenous	0.21 g/100ml
Emulsion	Intravenous	13.000 g
Injection, solution	Parenteral
Injection, solution, concentrate	Intravenous	3 MEQ/ML
Injection, solution, concentrate	Intravenous
Injection, solution	Intravenous	200 meq/100mL
Injection, solution, concentrate	Intravenous	164 mg/1mL
Injection, solution, concentrate	Intravenous	3.28 g/20mL
Injection, solution, concentrate	Intravenous	4 meq/100mL
Liquid	Intravenous	328 mg / mL
Solution	Intravenous	328 mg / mL
Injection, solution, concentrate	Intravenous	328 mg/1mL
Solution	Intraocular; Irrigation
Solution	Parenteral
Solution	Intravenous	0.3675 g/1000ml
Injection	Intravenous
Injection	Intravenous
Liquid	Ophthalmic

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	429.0 mg/mL	ALOGPS
logP	-0.2	ALOGPS
logP	-0.22	Chemaxon
logS	0.72	ALOGPS
pKa (Strongest Acidic)	4.54	Chemaxon
Physiological Charge	-1	Chemaxon
Hydrogen Acceptor Count	2	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	40.13 Å2	Chemaxon
Rotatable Bond Count	0	Chemaxon
Refractivity	23.48 m3·mol-1	Chemaxon
Polarizability	4.96 Å3	Chemaxon
Number of Rings	0	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-000x-9000000000-ab04275b8b817bbb73cb

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å2)	Source type	Source
[M-H]-	116.04955	predicted	DeepCCS 1.0 (2019)
[M+H]+	118.11168	predicted	DeepCCS 1.0 (2019)
[M+Na]+	126.58659	predicted	DeepCCS 1.0 (2019)

×

Identify potential medication risks

Easily compare up to 40 drugs with our drug interaction checker.

Get severity rating, description, and management advice.

Learn more

Drug created at November 30, 2015 19:10 / Updated at February 20, 2024 23:55