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Substance Name: Propanoic acid, 3-(pentylthio)-, ammonium salt
RN: 137882-40-7
InChIKey: AAPXLOJXPCERCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H15-O2-S.H4-N

Molecular Weight

  • 193.3091
 
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Names and Synonyms

Synonym

  • Ammonium 3-(pentylthio)propanoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 137882-40-7

System Generated Number

  • 0137882407

Molecular Formulas

Molecular Formula

  • C8-H15-O2-S.H4-N

Molecular Formula Fragments

  • C8-H15-O2-S
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C8H16O2S.H3N/c1-2-3-4-6-11-7-5-8(9)10;/h2-7H2,1H3,(H,9,10);1H3

InChIKey

AAPXLOJXPCERCH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 713, 1991.