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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)-, ethyl methyl ester
RN: 110714-60-8
InChIKey: QCGPDCMWVSEEGP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H27-N-O6

Molecular Weight

  • 473.5223
 
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Names and Synonyms

Synonym

  • Methyl ethyl 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)-, ethyl methyl ester

Registry Numbers

CAS Registry Number

  • 110714-60-8

System Generated Number

  • 0110714608

Structure Descriptors

InChI

InChI=1S/C28H27NO6/c1-6-34-28(32)22-17(4)29-16(3)21(27(31)33-5)23(22)19-13-10-14-20-24(30)15(2)25(35-26(19)20)18-11-8-7-9-12-18/h7-14,23,29H,6H2,1-5H3

InChIKey

QCGPDCMWVSEEGP-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(C)NC(=C(C1c2cccc3C(=O)C(=C(Oc23)c4ccccc4)C)C(=O)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4806534,
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4806534,