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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(1-methylethyl) ester
RN: 110525-41-2
InChIKey: WSMKHNRRVOZCCQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-F2-N-O4-S

Molecular Weight

  • 439.5203
 
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Names and Synonyms

Synonyms

  • 2,6-Dimethyl-3,5-di(isopropoxycarbonyl)-4-(o-difluoromethylthiophenyl)-1,4-dihydropyridine
  • BRN 5643688

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(1-methylethyl) ester

Registry Numbers

CAS Registry Number

  • 110525-41-2

System Generated Number

  • 0110525412

Structure Descriptors

InChI

1S/C22H27F2NO4S/c1-11(2)28-20(26)17-13(5)25-14(6)18(21(27)29-12(3)4)19(17)15-9-7-8-10-16(15)30-22(23)24/h7-12,19,22,25H,1-6H3

InChIKey

WSMKHNRRVOZCCQ-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2ccccc2SC(F)F)C(=O)OC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 327, 1987.