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Substance Name: Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
RN: 97314-03-9
InChIKey: OFRWVIABTFBZJS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H16-N2-O2-S.Br-H

Molecular Weight

  • 285.204
 
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Names and Synonyms

Synonym

  • Thioacetic acid S-2-(4-aminobutyramido)ethyl ester hydrobromide

Systematic Name

  • Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 97314-03-9

System Generated Number

  • 0097314039

Molecular Formulas

Molecular Formula

  • C8-H16-N2-O2-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C8-H16-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H16N2O2S.BrH/c1-7(11)13-6-5-10-8(12)3-2-4-9;/h2-6,9H2,1H3,(H,10,12);1H

InChIKey

OFRWVIABTFBZJS-UHFFFAOYSA-N

Smiles

[NH+](C(CCCN)=O)CCSC(C)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 2217, 1986.