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Substance Name: Bamethan [INN:BAN]
RN: 3703-79-5
UNII: Y08ZFJ9TFK
InChIKey: RDUHXGIIUDVSHR-UHFFFAOYSA-N

Classification Codes

  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Vasodilator Agents

Molecular Formula

  • C12-H19-N-O2

Molecular Weight

  • 209.2871
 
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Names and Synonyms

Results Name

  • Bamethan [INN:BAN]

Name of Substance

  • Bamethan
  • Bamethan [INN:BAN]

Synonyms

  • 1-(4-Hydroxyphenyl)-1-hydroxy-2-butylaminoethane
  • 1-(p-Hydroxyphenyl)-2-butylaminoethanol
  • 2-Butylamino-1-p-hydroxyphenylethanol
  • 4-13-00-02661 (Beilstein Handbook Reference)
  • alpha-((Butylamino)methyl)-4-hydroxybenzenemethanol
  • alpha-((Butylamino)methyl)-p-hydroxybenzyl alcohol
  • Bametano
  • Bametano [INN-Spanish]
  • Bamethan
  • Bamethane
  • Bamethanum
  • Bamethanum [INN-Latin]
  • BRN 1107993
  • Butedrine
  • Butyl-nor-sympatol
  • Butylsympathol
  • EINECS 223-043-9
  • N-Butylnorsynephrine
  • N-Dutylnorsympathol
  • UNII-Y08ZFJ9TFK

Systematic Names

  • Bamethan
  • Benzenemethanol, alpha-((butylamino)methyl)-4-hydroxy-
  • Benzyl alcohol, alpha-((butylamino)methyl)-p-hydroxy-

Registry Numbers

CAS Registry Number

  • 3703-79-5

FDA UNII

  • Y08ZFJ9TFK

System Generated Number

  • 0003703795

Structure Descriptors

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

InChIKey

RDUHXGIIUDVSHR-UHFFFAOYSA-N

Smiles

c1([C@@H](CNCCCC)O)ccc(O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 297, 1947.
mouse LD50 intravenous 72mg/kg (72mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 271, 1970.
mouse LD50 oral 562mg/kg (562mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 272, 1970.
rat LD50 intravenous 80mg/kg (80mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 272, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 124 deg C   EXP
log P (octanol-water) 1.260 (none)   EST
Atmospheric OH Rate Constant 1.36E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.