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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester
RN: 85387-16-2
InChIKey: CIRHYDJLUFGXCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N2-O9

Molecular Weight

  • 504.5328
 
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Names and Synonyms

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(2-propenyloxy)ethyl) 3-(2-propoxyethyl) ester

Registry Numbers

CAS Registry Number

  • 85387-16-2

System Generated Number

  • 0085387162

Structure Descriptors

InChI

1S/C25H32N2O9/c1-4-9-33-11-13-35-24(29)21-17(3)26-20(16-28)23(25(30)36-14-12-34-10-5-2)22(21)18-7-6-8-19(15-18)27(31)32/h4,6-8,15,22,26,28H,1,5,9-14,16H2,2-3H3

InChIKey

CIRHYDJLUFGXCX-UHFFFAOYSA-N

Smiles

CCCOCCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCOCC=C)C)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 103mg/kg (103mg/kg)   European Patent Application. Vol. #0063359,