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Substance Name: Valenamide, N-(2-mercaptoethyl)-, hydrobromide
RN: 120626-97-3
InChIKey: PTXTVQJDZLTZLX-RGMNGODLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H16-N2-O-S.Br-H

Molecular Weight

  • 257.1943
 
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Names and Synonyms

Synonyms

  • Butanamide, 2-amino-N-(2-mercaptoethyl)-3-methyl-, monohydrobromide, (S)-
  • N-(2-Mercaptoethyl)valenamide hydrobromide

Systematic Name

  • Valenamide, N-(2-mercaptoethyl)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 120626-97-3

System Generated Number

  • 0120626973

Molecular Formulas

Molecular Formula

  • C7-H16-N2-O-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C7-H16-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C7H16N2OS.BrH/c1-5(2)6(8)7(10)9-3-4-11;/h5-6,11H,3-4,8H2,1-2H3,(H,9,10);1H/t6-;/m0./s1

InChIKey

PTXTVQJDZLTZLX-RGMNGODLSA-N

Smiles

CC(C)[C@@H](C(=O)NCCS)N.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1350mg/kg (1350mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 257, 1988.