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Substance Name: Acetamide, N-(2-benzoyl-4-nitrophenyl)-2-(cyclohexylmethylamino)-N-methyl-, (E)-2-butenedioate (1:1)
RN: 80166-40-1
InChIKey: MFKIHENMGHJVQH-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N3-O4.C4-H4-O4

Molecular Weight

  • 525.5549
 
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Names and Synonyms

Synonyms

  • Fumarate de N,N' dimethyl N-cyclohexyl benzoyl-2' nitro-4' glycylanilide
  • Fumarate de N,N' dimethyl N-cyclohexyl benzoyl-2' nitro-4' glycylanilide [French]
  • N,N'-Dimethyl-N-cyclohexyl-2'-benzoyl-4'-nitroglycylanilide fumarate
  • N-(2-Benzoyl-4-nitrophenyl)-2-(cyclohexylmethylamino)-N-methylacetamide fumarate

Systematic Name

  • Acetamide, N-(2-benzoyl-4-nitrophenyl)-2-(cyclohexylmethylamino)-N-methyl-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 80166-40-1

System Generated Number

  • 0080166401

Molecular Formulas

Molecular Formula

  • C23-H27-N3-O4.C4-H4-O4

Molecular Formula Fragments

  • C23-H27-N3-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27N3O4.C4H4O4/c1-24(18-11-7-4-8-12-18)16-22(27)25(2)21-14-13-19(26(29)30)15-20(21)23(28)17-9-5-3-6-10-17;5-3(6)1-2-4(7)8/h3,5-6,9-10,13-15,18H,4,7-8,11-12,16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MFKIHENMGHJVQH-WLHGVMLRSA-N

Smiles

CN(CC(=O)N(C)c1ccc(cc1C(=O)c2ccccc2)[N+](=O)[O-])C3CCCCC3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 500mg/kg (500mg/kg)   European Patent Application. Vol. #0022017,