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Substance Name: Acetamide, 2-(4-methyl-1-piperazinyl)-N-(4-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2)
RN: 118989-85-8
InChIKey: ZZOCDNHMKHVHOW-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N4-O3.2C4-H4-O4

Molecular Weight

  • 586.551
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 118989-85-8

System Generated Number

  • 0118989858

Molecular Formulas

Molecular Formula

  • C19-H22-N4-O3.2C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C19H22N4O3.2C4H4O4/c1-15-13-21(11-12-22(15)17-5-3-2-4-6-17)14-19(24)20-16-7-9-18(10-8-16)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

ZZOCDNHMKHVHOW-LVEZLNDCSA-N

Smiles

CC1N(CCN(C1)CC(=O)Nc2ccc(cc2)[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 2029mg/kg (2029mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 1820, 1988.