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Substance Name: 1-Propanone, 1-(2,4-dimethoxyphenyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2)
RN: 51493-30-2
InChIKey: WLYDLZNBPOZXKJ-NRBAMQHDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H36-N4-O3.2C4-H4-O4

Molecular Weight

  • 756.8046
 
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Names and Synonyms

  • 1-Propanone, 1-(2,4-dimethoxyphenyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 51493-30-2

System Generated Number

  • 0051493302

Molecular Formulas

Molecular Formula

  • C32-H36-N4-O3.2C4-H4-O4

Molecular Formula Fragments

  • C32-H36-N4-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C32H36N4O3.2C4H4O4/c1-38-26-14-15-27(31(23-26)39-2)30(37)16-18-36-29-13-7-6-12-28(29)33-32(36)24-35-21-19-34(20-22-35)17-8-11-25-9-4-3-5-10-25;2*5-3(6)1-2-4(7)8/h3-15,23H,16-22,24H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b11-8+;2*2-1+

InChIKey

WLYDLZNBPOZXKJ-NRBAMQHDSA-N

Smiles

COc1cc(c(cc1)C(=O)CCn2c(nc3c2cccc3)CN4CCN(CC4)C/C=C/c5ccccc5)OC.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 LDLo oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #3862177,