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Substance Name: 1H-Benzimidazole, 2-(4-methyl-1-piperazinyl)-1-(2-phenoxyethyl)-, (E)-2-butenedioate (2:3)
RN: 87233-78-1
InChIKey: DQYQULKSOBWOMB-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H48-N8-O2.3C4-H4-O4

Molecular Weight

  • 1021.088
 
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Names and Synonyms

Synonyms

  • 1-(2-Phenoxyethyl)-2-(4-methyl-1-piperazinyl)benzimidazole fumarate (2:3)
  • 2-(4-Methyl-1-piperazinyl)-1-(2-phenoxyethyl)-1H-benzimidazole (E)-2-butenedioate (2:3)

Systematic Name

  • 1H-Benzimidazole, 2-(4-methyl-1-piperazinyl)-1-(2-phenoxyethyl)-, (E)-2-butenedioate (2:3)

Registry Numbers

CAS Registry Number

  • 87233-78-1

System Generated Number

  • 0087233781

Molecular Formulas

Molecular Formula

  • C40-H48-N8-O2.3C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C40-H48-N8-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H24N4O.3C4H4O4/c2*1-22-11-13-23(14-12-22)20-21-18-9-5-6-10-19(18)24(20)15-16-25-17-7-3-2-4-8-17;3*5-3(6)1-2-4(7)8/h2*2-10H,11-16H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

DQYQULKSOBWOMB-VQYXCCSOSA-N

Smiles

CN1CCN(CC1)c2n(c3c(n2)cccc3)CCOc4ccccc4.CN1CCN(CC1)c2n(c3c(n2)cccc3)CCOc4ccccc4.C(=C/C(=O)O)\C(=O)O.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 1110mg/kg (1110mg/kg)   United States Patent Document. Vol. #4430343,