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Substance Name: 1-Piperazineacetamide, N,N-dipropyl-4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2)
RN: 60960-00-1
InChIKey: SLYGAHXJYKSEKY-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H39-N5-O2.2C4-H4-O4

Molecular Weight

  • 721.8033
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 60960-00-1

System Generated Number

  • 0060960001

Molecular Formulas

Molecular Formula

  • C29-H39-N5-O2.2C4-H4-O4

Molecular Formula Fragments

  • C29-H39-N5-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H39N5O2.2C4H4O4/c1-3-10-24-20-32(22-29(36)30-16-4-2)18-19-33(24)21-28-31-25-13-8-9-14-26(25)34(28)17-15-27(35)23-11-6-5-7-12-23;2*5-3(6)1-2-4(7)8/h5-9,11-14,24H,3-4,10,15-22H2,1-2H3,(H,30,36);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

SLYGAHXJYKSEKY-LVEZLNDCSA-N

Smiles

CCCC1N(CCN(C1)CC(=O)NCCC)Cc2n(c3c(n2)cccc3)CCC(=O)c4ccccc4.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 2100mg/kg (2100mg/kg)   United States Patent Document. Vol. #4072682,