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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl ester
RN: 108914-37-0
InChIKey: URYVJXHCZHIXBN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H28-N2-O8

Molecular Weight

  • 508.5242
 
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Names and Synonyms

Synonym

  • SR 1433

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 108914-37-0

System Generated Number

  • 0108914370

Structure Descriptors

InChI

1S/C27H28N2O8/c1-16-22(25(30)34-4)24(18-9-8-12-20(13-18)29(32)33)23(17(2)28-16)26(31)35-14-21-15-36-27(3,37-21)19-10-6-5-7-11-19/h5-13,21,24,28H,14-15H2,1-4H3

InChIKey

URYVJXHCZHIXBN-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCC2COC(O2)(C)c3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 17800ug/kg (17.8mg/kg)   United States Patent Document. Vol. #4710505,