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Substance Name: Acetamide, 2-(4-methyl-1-piperazinyl)-N-(2-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate, hydrate (2:4:1)
RN: 118989-82-5
InChIKey: BORREWCOCHDKEL-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N4-O3.2C4-H4-O4.1/2H2-O

Molecular Weight

  • 586.551
 
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Names and Synonyms

Synonyms

  • 1-Piperazineacetamide, 4-methyl-N-(2-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2), 1/2H2O
  • N-(2-Nitrophenyl)-N-phenyl-2-(4-methyl-1-piperazinyl)acetamide dimaleate hemihydrate

Systematic Name

  • Acetamide, 2-(4-methyl-1-piperazinyl)-N-(2-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 118989-82-5

System Generated Number

  • 0118989825

Molecular Formulas

Molecular Formula

  • C19-H22-N4-O3.2C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C19-H22-N4-O3
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H22N4O3.2C4H4O4/c1-15-13-21(11-12-22(15)16-7-3-2-4-8-16)14-19(24)20-17-9-5-6-10-18(17)23(25)26;2*5-3(6)1-2-4(7)8/h2-10,15H,11-14H2,1H3,(H,20,24);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

BORREWCOCHDKEL-LVEZLNDCSA-N

Smiles

CC1N(CCN(C1)CC(=O)Nc2c(cccc2)[N+](=O)[O-])c3ccccc3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1325mg/kg (1325mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 1820, 1988.