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Substance Name: 1-Piperazineacetamide, N-cyclopentyl-4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2)
RN: 60960-26-1
InChIKey: MSUSNLXFBUGHLH-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H35-N5-O2.2C4-H4-O4

Molecular Weight

  • 705.7607
 
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Names and Synonyms

  • 1-Piperazineacetamide, N-cyclopentyl-4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 60960-26-1

System Generated Number

  • 0060960261

Molecular Formulas

Molecular Formula

  • C28-H35-N5-O2.2C4-H4-O4

Molecular Formula Fragments

  • C28-H35-N5-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H35N5O2.2C4H4O4/c34-26(22-8-2-1-3-9-22)14-15-33-25-13-7-6-12-24(25)30-27(33)20-31-16-18-32(19-17-31)21-28(35)29-23-10-4-5-11-23;2*5-3(6)1-2-4(7)8/h1-3,6-9,12-13,23H,4-5,10-11,14-21H2,(H,29,35);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

MSUSNLXFBUGHLH-LVEZLNDCSA-N

Smiles

c1ccc(cc1)C(=O)CCn2c(nc3c2cccc3)CN4CCN(CC4)CC(=O)NC5CCCC5.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 1100mg/kg (1100mg/kg)   United States Patent Document. Vol. #4072682,