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Substance Name: 1-Piperazineacetamide, N-(1-methylethyl)-4-((1-(3-(4-nitrophenyl)-3-oxopropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2)
RN: 60960-28-3
InChIKey: CZSZIWNCPHIICY-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H32-N6-O4.2C4-H4-O4

Molecular Weight

  • 724.72
 
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Names and Synonyms

  • 1-Piperazineacetamide, N-(1-methylethyl)-4-((1-(3-(4-nitrophenyl)-3-oxopropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 60960-28-3

System Generated Number

  • 0060960283

Molecular Formulas

Molecular Formula

  • C26-H32-N6-O4.2C4-H4-O4

Molecular Formula Fragments

  • C26-H32-N6-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H32N6O4.2C4H4O4/c1-19(2)27-26(34)18-30-15-13-29(14-16-30)17-25-28-22-5-3-4-6-23(22)31(25)12-11-24(33)20-7-9-21(10-8-20)32(35)36;2*5-3(6)1-2-4(7)8/h3-10,19H,11-18H2,1-2H3,(H,27,34);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

CZSZIWNCPHIICY-LVEZLNDCSA-N

Smiles

CC(NC(=O)CN1CCN(CC1)Cc2n(c3c(n2)cccc3)CCC(=O)c4ccc(cc4)[N+](=O)[O-])C.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 2200mg/kg (2200mg/kg)   United States Patent Document. Vol. #4072682,