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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-1-phenyl-, diethyl ester
RN: 74979-70-7
InChIKey: MTKLMJLNIUWUMQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H26-N2-O6

Molecular Weight

  • 450.4884
 
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Names and Synonyms

Synonym

  • Diethyl 2,6-dimethyl-4-(2-nitrophenyl)-1-phenyl-1,4-dihydro-3,5-pyridinedicarboxylate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 74979-70-7

System Generated Number

  • 0074979707

Structure Descriptors

InChI

1S/C25H26N2O6/c1-5-32-24(28)21-16(3)26(18-12-8-7-9-13-18)17(4)22(25(29)33-6-2)23(21)19-14-10-11-15-20(19)27(30)31/h7-15,23H,5-6H2,1-4H3

InChIKey

MTKLMJLNIUWUMQ-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(N(C(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OCC)C)c3ccccc3)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 23, 1984.