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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-chloroethyl 1-methylethyl ester
RN: 110714-53-9
InChIKey: JXYMYGXRELORSQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H30-Cl-N-O6

Molecular Weight

  • 536.021
 
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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-chloroethyl 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 110714-53-9

System Generated Number

  • 0110714539

Structure Descriptors

InChI

1S/C30H30ClNO6/c1-16(2)37-30(35)24-19(5)32-18(4)23(29(34)36-15-14-31)25(24)21-12-9-13-22-26(33)17(3)27(38-28(21)22)20-10-7-6-8-11-20/h6-13,16,25,32H,14-15H2,1-5H3

InChIKey

JXYMYGXRELORSQ-UHFFFAOYSA-N

Smiles

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

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,