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Substance Name: 1-Piperazineacetamide, N-(2-methylpropyl)-4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2)
RN: 60959-92-4
InChIKey: HUVCDGIEPQNUEY-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H35-N5-O2.2C4-H4-O4

Molecular Weight

  • 693.7497
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 60959-92-4

System Generated Number

  • 0060959924

Molecular Formulas

Molecular Formula

  • C27-H35-N5-O2.2C4-H4-O4

Molecular Formula Fragments

  • C27-H35-N5-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H35N5O2.2C4H4O4/c1-21(2)18-28-27(34)20-31-16-14-30(15-17-31)19-26-29-23-10-6-7-11-24(23)32(26)13-12-25(33)22-8-4-3-5-9-22;2*5-3(6)1-2-4(7)8/h3-11,21H,12-20H2,1-2H3,(H,28,34);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

HUVCDGIEPQNUEY-LVEZLNDCSA-N

Smiles

CC(CNC(=O)CN1CCN(CC1)Cc2n(c3c(n2)cccc3)CCC(=O)c4ccccc4)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 1600mg/kg (1600mg/kg)   United States Patent Document. Vol. #4072682,