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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-(1-piperidinyl)ethyl ester
RN: 110714-54-0
InChIKey: SRGWLQXCEWUSNL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H40-N2-O6

Molecular Weight

  • 584.709
 
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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-(1-piperidinyl)ethyl ester

Registry Numbers

CAS Registry Number

  • 110714-54-0

System Generated Number

  • 0110714540

Structure Descriptors

InChI

1S/C35H40N2O6/c1-21(2)42-35(40)29-24(5)36-23(4)28(34(39)41-20-19-37-17-10-7-11-18-37)30(29)26-15-12-16-27-31(38)22(3)32(43-33(26)27)25-13-8-6-9-14-25/h6,8-9,12-16,21,30,36H,7,10-11,17-20H2,1-5H3

InChIKey

SRGWLQXCEWUSNL-UHFFFAOYSA-N

Smiles

Cc1c(=O)c2cccc(c2oc1c3ccccc3)C4C(=C(NC(=C4C(=O)OC(C)C)C)C)C(=O)OCCN5CCCCC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 222mg/kg (222mg/kg)   United States Patent Document. Vol. #4806534,
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4806534,