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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-ethyl 3-(2-propoxyethyl) ester
RN: 85387-06-0
InChIKey: QWUXZBPCZXIESQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O8

Molecular Weight

  • 448.4692
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 85387-06-0

System Generated Number

  • 0085387060

Structure Descriptors

InChI

1S/C22H28N2O8/c1-4-9-30-10-11-32-22(27)20-17(13-25)23-14(3)18(21(26)31-5-2)19(20)15-7-6-8-16(12-15)24(28)29/h6-8,12,19,23,25H,4-5,9-11,13H2,1-3H3

InChIKey

QWUXZBPCZXIESQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 119mg/kg (119mg/kg)   European Patent Application. Vol. #0063359,