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Substance Name: 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-
RN: 117509-71-4
InChIKey: JFSDHMISHAZGDL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-N2-O-S

Molecular Weight

  • 284.3814
 
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Names and Synonyms

Synonyms

  • 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-3-pyridinecarbonitrile
  • BRN 5345320

Systematic Name

  • 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-

Registry Numbers

CAS Registry Number

  • 117509-71-4

System Generated Number

  • 0117509714

Structure Descriptors

InChI

1S/C16H16N2OS/c1-10-14(11(2)19)15(12-7-5-4-6-8-12)13(9-17)16(18-10)20-3/h4-8,15,18H,1-3H3

InChIKey

JFSDHMISHAZGDL-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)SC)C#N)c2ccccc2)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Russian Pharmacology and Toxicology Vol. 51, Pg. 191, 1988.