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Substance Name: Benzonitrile, 2-amino-3-bromo-5-(2-(tert-butylamino)-1-hydroxyethyl)-, hydrochloride
RN: 56795-29-0
InChIKey: CNRVBHZYPJXYDD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-Br-N3-O.Cl-H

Molecular Weight

  • 348.67
 
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Names and Synonyms

Synonyms

  • 2-Amino-3-bromo-5-(2-(tert-butylamino)-1-hydroxyethyl)benzonitrile hydrochloride
  • Benzonitrile, 2-amino-3-bromo-5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, HCl

Systematic Name

  • Benzonitrile, 2-amino-3-bromo-5-(2-(tert-butylamino)-1-hydroxyethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 56795-29-0

System Generated Number

  • 0056795290

Molecular Formulas

Molecular Formula

  • C13-H18-Br-N3-O.Cl-H

Molecular Formula Fragments

  • C13-H18-Br-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18BrN3O.ClH/c1-13(2,3)17-7-11(18)8-4-9(6-15)12(16)10(14)5-8;/h4-5,11,17-18H,7,16H2,1-3H3;1H

InChIKey

CNRVBHZYPJXYDD-UHFFFAOYSA-N

Smiles

c1(cc(c(N)c(c1)Br)C#N)[C@@H](C[NH2+]C(C)(C)C)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 67mg/kg (67mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 34, Pg. 1625, 1984.