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Substance Name: 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-4-phenyl-, monosodium salt
RN: 116736-47-1
InChIKey: SRDZSVSFFCHSCJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H13-N2-O-S.Na

Molecular Weight

  • 292.3367
 
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Names and Synonyms

Synonyms

  • 1,4-Dihydro-5-acetyl-2-mercapto-6-methyl-4-phenyl-3-pyridinecarbonitrile sodium salt
  • Sodium 6-methyl-4-phenyl-5-acetyl-3-cyano-1,4-dihydropyridine-2-thiolate

Systematic Name

  • 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-4-phenyl-, monosodium salt

Registry Numbers

CAS Registry Number

  • 116736-47-1

System Generated Number

  • 0116736471

Molecular Formulas

Molecular Formula

  • C15-H13-N2-O-S.Na

Molecular Formula Fragments

  • C15-H13-N2-O-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H14N2OS.Na/c1-9-13(10(2)18)14(11-6-4-3-5-7-11)12(8-16)15(19)17-9;/h3-7,14,17,19H,1-2H3;/q;+1/p-1

InChIKey

SRDZSVSFFCHSCJ-UHFFFAOYSA-M

Smiles

CC1=C(C(C(=C(N1)[S-])C#N)c2ccccc2)C(=O)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 366, 1988.