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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)-, 2-((3,3-diphenylpropyl)methylamino)ethyl 1-methylethyl ester
RN: 110714-56-2
InChIKey: WEVXFHAZTQKHKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H48-N2-O6

Molecular Weight

  • 724.8932
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110714-56-2

System Generated Number

  • 0110714562

Structure Descriptors

InChI

1S/C46H48N2O6/c1-29(2)53-46(51)40-32(5)47-31(4)39(41(40)37-23-16-24-38-42(49)30(3)43(54-44(37)38)35-21-14-9-15-22-35)45(50)52-28-27-48(6)26-25-36(33-17-10-7-11-18-33)34-19-12-8-13-20-34/h7-24,29,36,41,47H,25-28H2,1-6H3

InChIKey

WEVXFHAZTQKHKG-UHFFFAOYSA-N

Smiles

Cc1c(=O)c2cccc(c2oc1c3ccccc3)C4C(=C(NC(=C4C(=O)OC(C)C)C)C)C(=O)OCCN(C)CCC(c5ccccc5)c6ccccc6

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,