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Substance Name: 1-Piperazineacetamide, 4-((1-(3-(4-chlorophenyl)-3-oxopropyl)-1H-benzimidazol-2-yl)methyl)-N-(1-methylethyl)-, (Z)-2-butenedioate, hydrate (1:2:1)
RN: 60960-18-1
InChIKey: CAAMAAOOKYFZGI-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H32-Cl-N5-O2.2C4-H4-O4.H2-O

Molecular Weight

  • 714.168
 
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Names and Synonyms

  • 1-Piperazineacetamide, 4-((1-(3-(4-chlorophenyl)-3-oxopropyl)-1H-benzimidazol-2-yl)methyl)-N-(1-methylethyl)-, (Z)-2-butenedioate, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 60960-18-1

System Generated Number

  • 0060960181

Molecular Formulas

Molecular Formula

  • C26-H32-Cl-N5-O2.2C4-H4-O4.H2-O

Molecular Formula Fragments

  • C26-H32-Cl-N5-O2
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H32ClN5O2.2C4H4O4/c1-18(2)23-15-30(16-25(28)34)13-14-31(23)17-26-29-21-5-3-4-6-22(21)32(26)12-11-24(33)19-7-9-20(27)10-8-19;2*5-3(6)1-2-4(7)8/h3-10,18,23H,11-17H2,1-2H3,(H2,28,34);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

CAAMAAOOKYFZGI-LVEZLNDCSA-N

Smiles

CC(C1N(CCN(C1)CC(=O)N)Cc2n(c3c(n2)cccc3)CCC(=O)c4ccc(cc4)Cl)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 1300mg/kg (1300mg/kg)   United States Patent Document. Vol. #4072682,