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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-diphenyl-1,3-dioxolan-4-yl)methyl methyl ester
RN: 108914-38-1
InChIKey: WPBOUGKWBNHOEQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H30-N2-O8

Molecular Weight

  • 570.595
 
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Names and Synonyms

Synonym

  • SR 1457

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-diphenyl-1,3-dioxolan-4-yl)methyl methyl ester

Registry Numbers

CAS Registry Number

  • 108914-38-1

System Generated Number

  • 0108914381

Structure Descriptors

InChI

1S/C32H30N2O8/c1-20-27(30(35)39-3)29(22-11-10-16-25(17-22)34(37)38)28(21(2)33-20)31(36)40-18-26-19-41-32(42-26,23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-17,26,29,33H,18-19H2,1-3H3

InChIKey

WPBOUGKWBNHOEQ-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCC2COC(O2)(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 44400ug/kg (44.4mg/kg)   United States Patent Document. Vol. #4710505,