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Substance Name: 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-
RN: 112767-81-4
InChIKey: JUNPRUKHHLAGSQ-RFVHGSKJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O3.Cl-H

Molecular Weight

  • 275.774
 
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Names and Synonyms

Synonym

  • (S)-2-(((3,4-Dimethoxyphenyl)methyl)amino)-1-butanol hydrochloride

Systematic Name

  • 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-

Registry Numbers

CAS Registry Number

  • 112767-81-4

System Generated Number

  • 0112767814

Molecular Formulas

Molecular Formula

  • C13-H21-N-O3.Cl-H

Molecular Formula Fragments

  • C13-H21-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21NO3.ClH/c1-4-11(9-15)14-8-10-5-6-12(16-2)13(7-10)17-3;/h5-7,11,14-15H,4,8-9H2,1-3H3;1H/t11-;/m1./s1

InChIKey

JUNPRUKHHLAGSQ-RFVHGSKJSA-N

Smiles

c1(c(ccc(c1)C[NH2+][C@H](CC)CO)OC)OC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 570mg/kg (570mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 39, Pg. 309, 1987.
rat LD50 intravenous 380mg/kg (380mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 39, Pg. 309, 1987.