Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-((difluoromethyl)thio)phenyl)-2,6-dimethyl-, bis(3-methylbutyl) ester
RN: 110525-42-3
InChIKey: HPKCZJWEFFDHFR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H35-F2-N-O4-S

Molecular Weight

  • 495.6275
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2,6-Dimethyl-3,5-di(isopentyloxycarbonyl)-4-(o-difluoromethylthiophenyl)-1,4-dihydropyridine
  • BRN 5656523

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110525-42-3

System Generated Number

  • 0110525423

Structure Descriptors

InChI

1S/C26H35F2NO4S/c1-15(2)11-13-32-24(30)21-17(5)29-18(6)22(25(31)33-14-12-16(3)4)23(21)19-9-7-8-10-20(19)34-26(27)28/h7-10,15-16,23,26,29H,11-14H2,1-6H3

InChIKey

HPKCZJWEFFDHFR-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCCC(C)C)c2ccccc2SC(F)F)C(=O)OCCC(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.