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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-5-cyano-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ethyl ester
RN: 100507-48-0
InChIKey: GPNSWFLKFSMYQQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-F2-N2-O3

Molecular Weight

  • 348.3472
 
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Names and Synonyms

Synonyms

  • BRN 5622351
  • RTECS UY0896000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100507-48-0

System Generated Number

  • 0100507480

Structure Descriptors

InChI

1S/C18H18F2N2O3/c1-4-24-17(23)15-11(3)22-10(2)13(9-21)16(15)12-7-5-6-8-14(12)25-18(19)20/h5-8,16,18,22H,4H2,1-3H3

InChIKey

GPNSWFLKFSMYQQ-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC(=C(C1c2ccccc2OC(F)F)C#N)C)C

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.