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Substance Name: Acetic acid, thio-, S-2-(3-aminopropionamido)ethyl ester, hydrobromide
RN: 104071-75-2
InChIKey: UIRLBVRAMIPYDE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-N2-O2-S.Br-H

Molecular Weight

  • 271.177
 
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Names and Synonyms

Synonym

  • Thioacetic acid S-2-(3-aminopropionamido)ethyl ester hydrobromide

Systematic Name

  • Acetic acid, thio-, S-2-(3-aminopropionamido)ethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 104071-75-2

System Generated Number

  • 0104071752

Molecular Formulas

Molecular Formula

  • C7-H14-N2-O2-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C7-H14-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C7H14N2O2S.BrH/c1-6(10)12-5-4-9-7(11)2-3-8;/h2-5,8H2,1H3,(H,9,11);1H

InChIKey

UIRLBVRAMIPYDE-UHFFFAOYSA-N

Smiles

N(C(CC[NH3+])=O)CCSC(C)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 2217, 1986.