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Substance Name: Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-
RN: 178408-11-2
InChIKey: XBSZINYUSOWIOB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N-O4-S

Molecular Weight

  • 308.3564
 
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Names and Synonyms

Synonym

  • 4,4-Dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxopentanamide

Systematic Name

  • Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-

Registry Numbers

CAS Registry Number

  • 178408-11-2

System Generated Number

  • 0178408112

Structure Descriptors

InChI

1S/C14H16N2O4S/c1-14(2,3)11(17)8-12(18)15-13(21)9-4-6-10(7-5-9)16(19)20/h4-7H,8H2,1-3H3,(H,15,18,21)

InChIKey

XBSZINYUSOWIOB-UHFFFAOYSA-N

Smiles

CC(C)(C)C(=O)CC(=O)NC(=S)c1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 181, 1996.