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Substance Name: 1-Propanone, 1-(2-furanyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2)
RN: 60248-24-0
InChIKey: DDYRUOXRYVBENR-KGCCCFOJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H30-N4-O2.2C4-H4-O4

Molecular Weight

  • 686.714
 
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Names and Synonyms

Synonyms

  • 1-(2'-(alpha-Furoyl)eth-1'-yl)-2-(4''-cinnamylpiperazin-1''-ylmethyl)benzimidazole dimaleate
  • EINECS 262-124-3

Systematic Names

  • 1-Propanone, 1-(2-furanyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2)
  • 3-(2-((4-Cinnamyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-1-(2-furyl)propan-1-one dimaleate

Registry Numbers

CAS Registry Number

  • 60248-24-0

System Generated Number

  • 0060248240

Molecular Formulas

Molecular Formula

  • C28-H30-N4-O2.2C4-H4-O4

Molecular Formula Fragments

  • C28-H30-N4-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H30N4O2.2C4H4O4/c33-26(27-13-7-21-34-27)14-16-32-25-12-5-4-11-24(25)29-28(32)22-31-19-17-30(18-20-31)15-6-10-23-8-2-1-3-9-23;2*5-3(6)1-2-4(7)8/h1-13,21H,14-20,22H2;2*1-2H,(H,5,6)(H,7,8)/b10-6-;2*2-1+

InChIKey

DDYRUOXRYVBENR-KGCCCFOJSA-N

Smiles

C(\C=C\C(=O)O)(=O)O.C(CCn1c2c(nc1CN1CCN(CC1)C\C=C/c1ccccc1)cccc2)(=O)c1occc1.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4029789,
mouse LD50 intravenous 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4029789,