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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)-, 1-methylethyl 2-(methyl(phenylmethyl)amino)ethyl ester
RN: 110714-55-1
InChIKey: VVXVOQMVIAYTFB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H40-N2-O6

Molecular Weight

  • 620.742
 
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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)-, 1-methylethyl 2-(methyl(phenylmethyl)amino)ethyl ester

Registry Numbers

CAS Registry Number

  • 110714-55-1

System Generated Number

  • 0110714551

Structure Descriptors

InChI

1S/C38H40N2O6/c1-23(2)45-38(43)32-26(5)39-25(4)31(37(42)44-21-20-40(6)22-27-14-9-7-10-15-27)33(32)29-18-13-19-30-34(41)24(3)35(46-36(29)30)28-16-11-8-12-17-28/h7-19,23,33,39H,20-22H2,1-6H3

InChIKey

VVXVOQMVIAYTFB-UHFFFAOYSA-N

Smiles

Cc1c(=O)c2cccc(c2oc1c3ccccc3)C4C(=C(NC(=C4C(=O)OC(C)C)C)C)C(=O)OCCN(C)Cc5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 959mg/kg (959mg/kg)   United States Patent Document. Vol. #4806534,
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4806534,