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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester
RN: 39561-98-3
InChIKey: IUNHNUXLUKQDPO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl-N-O4

Molecular Weight

  • 375.8498
 
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Names and Synonyms

Synonym

  • Ethyl 2-propenyl 2,6-dimethyl-4-(2-chlorophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester

Registry Numbers

CAS Registry Number

  • 39561-98-3

System Generated Number

  • 0039561983

Structure Descriptors

InChI

1S/C20H22ClNO4/c1-5-11-26-20(24)17-13(4)22-12(3)16(19(23)25-6-2)18(17)14-9-7-8-10-15(14)21/h5,7-10,18,22H,1,6,11H2,2-4H3

InChIKey

IUNHNUXLUKQDPO-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OCC=C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 630mg/kg (630mg/kg)   United States Patent Document. Vol. #3932646,