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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, dipropyl ester
RN: 110544-06-4
InChIKey: RCXUUSMLFWKGOZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-F2-N-O5

Molecular Weight

  • 423.4533
 
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Names and Synonyms

Synonyms

  • 2,6-Dimethyl-3,5-dipropoxycarbonyl-4-(o-difluoromethoxyphenyl)-1,4-dihydropyridine
  • BRN 5642929

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, dipropyl ester

Registry Numbers

CAS Registry Number

  • 110544-06-4

System Generated Number

  • 0110544064

Structure Descriptors

InChI

1S/C22H27F2NO5/c1-5-11-28-20(26)17-13(3)25-14(4)18(21(27)29-12-6-2)19(17)15-9-7-8-10-16(15)30-22(23)24/h7-10,19,22,25H,5-6,11-12H2,1-4H3

InChIKey

RCXUUSMLFWKGOZ-UHFFFAOYSA-N

Smiles

CCCOC(=O)C1=C(NC(=C(C1c2ccccc2OC(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.