NAV

Bamethan

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Bamethan
DrugBank Accession Number
DB13206
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 209.289
Monoisotopic: 209.141578856
Chemical Formula
C12H19NO2
Synonyms
  • 1-(4-Hydroxyphenyl)-1-hydroxy-2-butylaminoethane
  • 1-(p-Hydroxyphenyl)-2-butylaminoethanol
  • 2-Butylamino-1-p-hydroxyphenylethanol
  • Bametano
  • Bamethan
  • Bamethane
  • Bamethanum
  • N-Butylnorsynephrine
External IDs
  • BRN 1107993
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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.
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Isosorbide mononitrateBamethan may increase the vasodilatory activities of Isosorbide mononitrate.
Patent BlueThe therapeutic efficacy of Bamethan can be decreased when used in combination with Patent Blue.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Bamethan sulfateW2L3E1W8275716-20-1PARMADWNFXEEFC-UHFFFAOYSA-N
International/Other Brands
Vasolat

Categories

ATC Codes
C04AA31 — Bamethan
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenols
Sub Class
1-hydroxy-2-unsubstituted benzenoids
Direct Parent
1-hydroxy-2-unsubstituted benzenoids
Alternative Parents
Aralkylamines / Benzene and substituted derivatives / Secondary alcohols / 1,2-aminoalcohols / Dialkylamines / Organopnictogen compounds / Hydrocarbon derivatives / Aromatic alcohols
Substituents
1,2-aminoalcohol / 1-hydroxy-2-unsubstituted benzenoid / Alcohol / Amine / Aralkylamine / Aromatic alcohol / Aromatic homomonocyclic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Y08ZFJ9TFK
CAS number
3703-79-5
InChI Key
RDUHXGIIUDVSHR-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3
IUPAC Name
4-[2-(butylamino)-1-hydroxyethyl]phenol
SMILES
CCCCNCC(O)C1=CC=C(O)C=C1

References

General References
Not Available
ChemSpider
2204
RxNav
1321
ChEMBL
CHEMBL1987462
Wikipedia
Bamethan

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Solubility1.85 mg/mLALOGPS
logP1.09ALOGPS
logP1.14Chemaxon
logS-2ALOGPS
pKa (Strongest Acidic)9.2Chemaxon
pKa (Strongest Basic)9.96Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area52.49 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity61.12 m3·mol-1Chemaxon
Polarizability24.04 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dj-9670000000-ecf00e601d9c8bd60a26
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-5b34f4fe3170ade2a5a9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0005-9200000000-e1cd953675813dc81d32
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-4920000000-663584c283f17be956fc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00xr-6900000000-0c4da2c60335364ea602
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0459-3900000000-2e008b02466510226f3e
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]-147.09547
predicted
DeepCCS 1.0 (2019)
[M+H]+150.7269
predicted
DeepCCS 1.0 (2019)
[M+Na]+159.89676
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:37 / Updated at February 21, 2021 18:54