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Substance Name: Nicotinic acid, 2-(p-(phenylthio)anilino)-, sodium salt
RN: 101952-71-0
InChIKey: ATMLMJVTKBTGNM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H13-O2-S.Na

Molecular Weight

  • 344.369
 
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Names and Synonyms

Synonyms

  • 2-(p-(Phenylthio)anilino)nicotinic acid sodium salt
  • Acide (phenylthio-4 phenylamino)-2 nicotinique
  • Acide (phenylthio-4 phenylamino)-2 nicotinique [French]

Systematic Name

  • Nicotinic acid, 2-(p-(phenylthio)anilino)-, sodium salt

Registry Numbers

CAS Registry Number

  • 101952-71-0

System Generated Number

  • 0101952710

Molecular Formulas

Molecular Formula

  • C18-H13-O2-S.Na

Molecular Formula Fragments

  • C18-H13-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H14N2O2S.Na/c21-18(22)16-7-4-12-19-17(16)20-13-8-10-15(11-9-13)23-14-5-2-1-3-6-14;/h1-12H,(H,19,20)(H,21,22);/q;+1/p-1

InChIKey

ATMLMJVTKBTGNM-UHFFFAOYSA-M

Smiles

c1(c(cccn1)C(=O)[O-])Nc1ccc(Sc2ccccc2)cc1.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 100mg/kg (100mg/kg)   Annales Pharmaceutiques Francaises. Vol. 38, Pg. 243, 1980.