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Substance Name: Propanoic acid, 3-(butylthio)-, ammonium salt
RN: 126740-29-2
InChIKey: QCEFAHIIKKNUEG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H13-O2.S.H4-N

Molecular Weight

  • 179.2823
 
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Names and Synonyms

Synonym

  • 3-(Butylthio)propanoic acid ammonium salt

Systematic Name

  • Propanoic acid, 3-(butylthio)-, ammonium salt

Registry Numbers

CAS Registry Number

  • 126740-29-2

System Generated Number

  • 0126740292

Molecular Formulas

Molecular Formula

  • C7-H13-O2.S.H4-N

Molecular Formula Fragments

  • C7-H13-O2
  • COMPONENT
  • H4-N
  • S

Structure Descriptors

InChI

1S/C7H14O2S.H3N/c1-2-3-5-10-6-4-7(8)9;/h2-6H2,1H3,(H,8,9);1H3

InChIKey

QCEFAHIIKKNUEG-UHFFFAOYSA-N

Smiles

CCCCSCCC(=O)[O-].[NH4+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 267mg/kg (267mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 987, 1989.