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Substance Name: (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-
RN: 116736-42-6
InChIKey: APRYYOTYMLTMRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N3-O-S

Molecular Weight

  • 271.3427
 
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Names and Synonyms

Synonyms

  • 1,4-Dihydro-5-acetyl-2-mercapto-6-methyl-(4,4'-bipyridine)-3-carbonitrile
  • 6-Methyl-5-acetyl-3-cyano-4-pyridyl-1,4-dihydropyridine-2(3H)-thione
  • BRN 5753546

Systematic Name

  • (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-

Registry Numbers

CAS Registry Number

  • 116736-42-6

System Generated Number

  • 0116736426

Structure Descriptors

InChI

1S/C14H13N3OS/c1-8-12(9(2)18)13(10-3-5-16-6-4-10)11(7-15)14(19)17-8/h3-6,13,17,19H,1-2H3

InChIKey

APRYYOTYMLTMRL-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)S)C#N)c2ccncc2)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 366, 1988.