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Substance Name: Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-
RN: 141985-43-5
InChIKey: IPJPRNSMESBVDE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-N5-O7

Molecular Weight

  • 387.3067
 
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Names and Synonyms

Synonym

  • N-(1,3-Dimethyl-2,4,5-trioxo-6-nitro-1,2,3,4,5,8-hexahydropyrido(2,3-d)pyrimidinyl-7)anthranol

Systematic Name

  • Benzoic acid, 2-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-

Registry Numbers

CAS Registry Number

  • 141985-43-5

System Generated Number

  • 0141985435

Structure Descriptors

InChI

1S/C16H13N5O7/c1-19-13-9(14(23)20(2)16(19)26)11(22)10(21(27)28)12(18-13)17-8-6-4-3-5-7(8)15(24)25/h3-6H,1-2H3,(H,24,25)(H2,17,18,22)

InChIKey

IPJPRNSMESBVDE-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)c(c([nH]2)Nc3ccccc3C(=O)O)[N+](=O)[O-])c(=O)n(c1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 250mg/kg (250mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 63, 1992.