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Substance Name: Acetamide, 2-(4-methyl-1-piperazinyl)-N-(3-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2)
RN: 118989-84-7
InChIKey: PQDJJSMBBZSAOI-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-(3-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2)
  • N-(3-Nitrophenyl)-N-phenyl-2-(4-methyl-1-piperazinyl)acetamide dimaleate

Systematic Name

  • Acetamide, 2-(4-methyl-1-piperazinyl)-N-(3-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 118989-84-7

System Generated Number

  • 0118989847

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

InChIKey

PQDJJSMBBZSAOI-LVEZLNDCSA-N

Smiles

CC1N(CCN(C1)CC(=O)Nc2cc(ccc2)[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 2546mg/kg (2546mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 1820, 1988.