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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-, ethyl 2-propenyl ester
RN: 39562-00-0
InChIKey: DIQKZLKEQDIIQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O7

Molecular Weight

  • 431.4821
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 39562-00-0

System Generated Number

  • 0039562000

Structure Descriptors

InChI

1S/C23H29NO7/c1-8-12-31-23(26)18-14(4)24-13(3)17(22(25)30-9-2)19(18)15-10-11-16(27-5)21(29-7)20(15)28-6/h8,10-11,19,24H,1,9,12H2,2-7H3

InChIKey

DIQKZLKEQDIIQX-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC(=C(C1c2ccc(c(c2OC)OC)OC)C(=O)OCC=C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #3932646,