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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-, dimethyl ester
RN: 110714-49-3
InChIKey: MHPRFJAYKKVBLY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H25-N-O6

Molecular Weight

  • 459.4955
 
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Names and Synonyms

Synonym

  • Dimethyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 110714-49-3

System Generated Number

  • 0110714493

Structure Descriptors

InChI

1S/C27H25NO6/c1-14-23(29)19-13-9-12-18(25(19)34-24(14)17-10-7-6-8-11-17)22-20(26(30)32-4)15(2)28-16(3)21(22)27(31)33-5/h6-13,22,28H,1-5H3

InChIKey

MHPRFJAYKKVBLY-UHFFFAOYSA-N

Smiles

Cc1c(=O)c2cccc(c2oc1c3ccccc3)C4C(=C(NC(=C4C(=O)OC)C)C)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 889mg/kg (889mg/kg)   United States Patent Document. Vol. #4806534,
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4806534,