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Substance Name: Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-
RN: 141985-40-2
InChIKey: WIMSSOHTOWOPOB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-N5-O7

Molecular Weight

  • 353.2895
 
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Names and Synonyms

  • Butanoic acid, 4-((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

  • 141985-40-2

System Generated Number

  • 0141985402

Structure Descriptors

InChI

1S/C13H15N5O7/c1-16-11-7(12(22)17(2)13(16)23)9(21)8(18(24)25)10(15-11)14-5-3-4-6(19)20/h3-5H2,1-2H3,(H,19,20)(H2,14,15,21)

InChIKey

WIMSSOHTOWOPOB-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)c(c([nH]2)NCCCC(=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.