This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Prenalterol
- DrugBank Accession Number
- DB13777
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Prenalterol (DB13777)
- Weight
- Average: 225.288
Monoisotopic: 225.136493476 - Chemical Formula
- C12H19NO3
- Synonyms
- Prenalterol
Pharmacology
- Indication
Not Available
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.- 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
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- 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
Not Available
- 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 softwareAcebutolol The therapeutic efficacy of Prenalterol can be decreased when used in combination with Acebutolol. Aceclofenac The risk or severity of hypertension can be increased when Aceclofenac is combined with Prenalterol. Acemetacin The risk or severity of hypertension can be increased when Prenalterol is combined with Acemetacin. Acetylsalicylic acid The risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Prenalterol. Aclidinium The risk or severity of Tachycardia can be increased when Aclidinium is combined with Prenalterol. - Food Interactions
- Not Available
Categories
- ATC Codes
- C01CA13 — Prenalterol
- Drug Categories
- Adrenergic Agents
- Adrenergic Agonists
- Adrenergic and Dopaminergic Agents
- Adrenergic beta-1 Receptor Agonists
- Adrenergic beta-Agonists
- Agents producing tachycardia
- Agents that produce hypertension
- Alcohols
- Amines
- Amino Alcohols
- Autonomic Agents
- Cardiac Stimulants Excl. Cardiac Glycosides
- Cardiac Therapy
- Cardiotonic Agents
- Cardiovascular Agents
- Compounds used in a research, industrial, or household setting
- Neurotransmitter Agents
- Peripheral Nervous System Agents
- Phenoxypropanolamines
- Propanolamines
- Propanols
- Protective Agents
- Sympathomimetics
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Phenols
- Sub Class
- 4-alkoxyphenols
- Direct Parent
- 4-alkoxyphenols
- Alternative Parents
- Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / 1-hydroxy-2-unsubstituted benzenoids / Secondary alcohols / 1,2-aminoalcohols / Dialkylamines / Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- 1,2-aminoalcohol / 1-hydroxy-2-unsubstituted benzenoid / 4-alkoxyphenol / Alcohol / Alkyl aryl ether / Amine / Aromatic homomonocyclic compound / Ether / Hydrocarbon derivative / Monocyclic benzene moiety
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- aromatic ether (CHEBI:8391)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- M4G34404CX
- CAS number
- 57526-81-5
- InChI Key
- ADUKCCWBEDSMEB-NSHDSACASA-N
- InChI
- InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1
- IUPAC Name
- 4-[(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy]phenol
- SMILES
- CC(C)NC[C@H](O)COC1=CC=C(O)C=C1
References
- General References
- Not Available
- External Links
- KEGG Compound
- C07533
- ChemSpider
- 38665
- BindingDB
- 50421716
- ChEBI
- 8391
- ChEMBL
- CHEMBL1160714
- ZINC
- ZINC000000897007
- Wikipedia
- Prenalterol
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
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 2.61 mg/mL ALOGPS logP 0.43 ALOGPS logP 0.8 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 10.11 Chemaxon pKa (Strongest Basic) 9.47 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 61.72 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 62.36 m3·mol-1 Chemaxon Polarizability 25.38 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 splash10-0c03-9610000000-035974d3eedb3b5b2fff Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-4290000000-3249c426cf9de5adfff4 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-006t-9000000000-ae93dfbb06171873dc25 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-5910000000-039e3801cdf0a27ef80d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-06r6-9300000000-2b72a2d956f1e21665cc Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9200000000-2d5275e30540f816ab8a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9500000000-cabca6e035d0b0a0aebb Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 152.32986 predictedDeepCCS 1.0 (2019) [M+H]+ 154.68787 predictedDeepCCS 1.0 (2019) [M+Na]+ 160.781 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:48 / Updated at February 21, 2021 18:54