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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, methyl ester
RN: 100507-47-9
InChIKey: COJNODJIRSNJMK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-F2-N2-O3

Molecular Weight

  • 334.3204
 
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Names and Synonyms

Synonyms

  • 2,6-Dimethyl-3-cyano-5-methoxycarbonyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine
  • BRN 4269435

Systematic Name

  • 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 100507-47-9

System Generated Number

  • 0100507479

Structure Descriptors

InChI

1S/C17H16F2N2O3/c1-9-12(8-20)15(14(10(2)21-9)16(22)23-3)11-6-4-5-7-13(11)24-17(18)19/h4-7,15,17,21H,1-3H3

InChIKey

COJNODJIRSNJMK-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2OC(F)F)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 318, 1985.