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Substance Name: Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-
RN: 32808-55-2
InChIKey: DEULGGHKUPRTPO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N-O5

Molecular Weight

  • 305.328
 
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Names and Synonyms

Synonyms

  • 4-Cyclohexyl-3-nitro-gamma-oxobenzenebutanoic acid
  • BRN 2396196
  • CB 850

Systematic Name

  • Benzenebutanoic acid, 4-cyclohexyl-3-nitro-gamma-oxo-

Registry Numbers

CAS Registry Number

  • 32808-55-2

System Generated Number

  • 0032808552

Structure Descriptors

InChI

1S/C16H19NO5/c18-15(8-9-16(19)20)12-6-7-13(14(10-12)17(21)22)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)

InChIKey

DEULGGHKUPRTPO-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)C1CCCCC1)[N+](=O)[O-])C(CCC(=O)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1360, 1974.