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Substance Name: 1-Piperazineacetamide, N-butyl-4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2)
RN: 60959-90-2
InChIKey: BWGLUJPXEQNMEA-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-butyl-4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 60959-90-2

System Generated Number

  • 0060959902

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/c1-2-3-14-28-27(34)21-31-18-16-30(17-19-31)20-26-29-23-11-7-8-12-24(23)32(26)15-13-25(33)22-9-5-4-6-10-22;2*5-3(6)1-2-4(7)8/h4-12H,2-3,13-21H2,1H3,(H,28,34);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

BWGLUJPXEQNMEA-LVEZLNDCSA-N

Smiles

CCCCNC(=O)CN1CCN(CC1)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 360mg/kg (360mg/kg)   United States Patent Document. Vol. #4072682,