Prenalterol

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
Weight
Average: 225.288
Monoisotopic: 225.136493476
Chemical Formula
C12H19NO3
Synonyms
  • Prenalterol

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
AcebutololThe therapeutic efficacy of Prenalterol can be decreased when used in combination with Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Prenalterol.
AcemetacinThe risk or severity of hypertension can be increased when Prenalterol is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Prenalterol.
AclidiniumThe 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
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
KEGG Compound
C07533
ChemSpider
38665
BindingDB
50421716
ChEBI
8391
ChEMBL
CHEMBL1160714
ZINC
ZINC000000897007
Wikipedia
Prenalterol

Clinical Trials

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PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility2.61 mg/mLALOGPS
logP0.43ALOGPS
logP0.8Chemaxon
logS-1.9ALOGPS
pKa (Strongest Acidic)10.11Chemaxon
pKa (Strongest Basic)9.47Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area61.72 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity62.36 m3·mol-1Chemaxon
Polarizability25.38 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0c03-9610000000-035974d3eedb3b5b2fff
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-4290000000-3249c426cf9de5adfff4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-006t-9000000000-ae93dfbb06171873dc25
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-5910000000-039e3801cdf0a27ef80d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-06r6-9300000000-2b72a2d956f1e21665cc
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9200000000-2d5275e30540f816ab8a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9500000000-cabca6e035d0b0a0aebb
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-152.32986
predicted
DeepCCS 1.0 (2019)
[M+H]+154.68787
predicted
DeepCCS 1.0 (2019)
[M+Na]+160.781
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:48 / Updated at February 21, 2021 18:54