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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl methyl ester
RN: 108914-31-4
InChIKey: YXHSDVFQANABCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O8

Molecular Weight

  • 446.4534
 
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Names and Synonyms

Synonym

  • SR 1154

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 108914-31-4

System Generated Number

  • 0108914314

Structure Descriptors

InChI

1S/C22H26N2O8/c1-12-17(20(25)29-5)19(14-7-6-8-15(9-14)24(27)28)18(13(2)23-12)21(26)30-10-16-11-31-22(3,4)32-16/h6-9,16,19,23H,10-11H2,1-5H3

InChIKey

YXHSDVFQANABCJ-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCC2COC(O2)(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 22500ug/kg (22.5mg/kg)   United States Patent Document. Vol. #4710505,