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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)-, methyl 2-propynyl ester
RN: 110714-64-2
InChIKey: CPFCWZAHJKHFEM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H25-N-O6

Molecular Weight

  • 483.5175
 
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Names and Synonyms

Synonym

  • Methyl propargyl 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)-, methyl 2-propynyl ester

Registry Numbers

CAS Registry Number

  • 110714-64-2

System Generated Number

  • 0110714642

Structure Descriptors

InChI

1S/C29H25NO6/c1-6-15-35-29(33)23-18(4)30-17(3)22(28(32)34-5)24(23)20-13-10-14-21-25(31)16(2)26(36-27(20)21)19-11-8-7-9-12-19/h1,7-14,24,30H,15H2,2-5H3

InChIKey

CPFCWZAHJKHFEM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 597mg/kg (597mg/kg)   United States Patent Document. Vol. #4806534,
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4806534,