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Substance Name: Propanoic acid, 3-(octylthio)-, ammonium salt
RN: 122815-13-8
InChIKey: VOWAOAGIIPOKIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H21-O2-S.H4-N

Molecular Weight

  • 235.3895
 
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Names and Synonyms

Synonym

  • 3-(Octylthio)propanoic acid ammonium salt

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 122815-13-8

System Generated Number

  • 0122815138

Molecular Formulas

Molecular Formula

  • C11-H21-O2-S.H4-N

Molecular Formula Fragments

  • C11-H21-O2-S
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C11H22O2S.H3N/c1-2-3-4-5-6-7-9-14-10-8-11(12)13;/h2-10H2,1H3,(H,12,13);1H3

InChIKey

VOWAOAGIIPOKIP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 179mg/kg (179mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 713, 1991.