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Substance Name: 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-4-(3-nitrophenyl)-, monosodium salt
RN: 116736-48-2
InChIKey: YAEYJDPRWDPZSG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-N3-O3-S.Na

Molecular Weight

  • 337.3338
 
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Names and Synonyms

Synonym

  • Sodium 6-methyl-4-(3-nitrophenyl)-5-acetyl-3-cyano-1,4-dihydropyridine-2-thiolate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116736-48-2

System Generated Number

  • 0116736482

Molecular Formulas

Molecular Formula

  • C15-H12-N3-O3-S.Na

Molecular Formula Fragments

  • C15-H12-N3-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H13N3O3S.Na/c1-8-13(9(2)19)14(12(7-16)15(22)17-8)10-4-3-5-11(6-10)18(20)21;/h3-6,14,17,22H,1-2H3;/q;+1/p-1

InChIKey

YAEYJDPRWDPZSG-UHFFFAOYSA-M

Smiles

CC1=C(C(C(=C(N1)[S-])C#N)c2cccc(c2)[N+](=O)[O-])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.