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Substance Name: (3,4'-Bipyridine)-3'-carbonitrile, 1',4'-dihydro-5'-acetyl-2'-mercapto-6'-methyl-
RN: 109619-35-4
InChIKey: IRCDOLXNZVNQCF-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-(3,4'-bipyridine)-3'-carbonitrile
  • BRN 5065343

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 109619-35-4

System Generated Number

  • 0109619354

Structure Descriptors

InChI

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

InChIKey

IRCDOLXNZVNQCF-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)S)C#N)c2cccnc2)C(=O)C

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.