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Substance Name: 1-Piperazineacetamide, N,N-diethyl-4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-,(Z)-2-butenedioate (1:2)
RN: 60959-98-0
InChIKey: GRQSRNNGALMBRE-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,N-diethyl-4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-,(Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 60959-98-0

System Generated Number

  • 0060959980

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

InChIKey

GRQSRNNGALMBRE-LVEZLNDCSA-N

Smiles

CCN(C(=O)CN1CCN(CC1)Cc2n(c3c(n2)cccc3)CCC(=O)c4ccccc4)CC.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 1300mg/kg (1300mg/kg)   United States Patent Document. Vol. #4072682,