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Substance Name: Propanoic acid, 3-(propylthio)-, ammonium salt
RN: 126740-28-1
InChIKey: NPBLQFWIVQVLHD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H11-O2-S.H4-N

Molecular Weight

  • 165.2555
 
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Names and Synonyms

Synonym

  • 3-(Propylthio)propanoic acid ammonium salt

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 126740-28-1

System Generated Number

  • 0126740281

Molecular Formulas

Molecular Formula

  • C6-H11-O2-S.H4-N

Molecular Formula Fragments

  • C6-H11-O2-S
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C6H12O2S.H3N/c1-2-4-9-5-3-6(7)8;/h2-5H2,1H3,(H,7,8);1H3

InChIKey

NPBLQFWIVQVLHD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 713, 1991.