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Substance Name: 1-Propanone, 3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-1-(3,4,5-trimethoxyphenyl)-, (Z)-2-butenedioate (1:2)
RN: 51493-32-4
InChIKey: ZRLQSLWZIHVPOH-DVHCJWIYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H38-N4-O4.2C4-N4-O4

Molecular Weight

  • 786.8304
 
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Names and Synonyms

  • 1-Propanone, 3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-1-(3,4,5-trimethoxyphenyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 51493-32-4

System Generated Number

  • 0051493324

Molecular Formulas

Molecular Formula

  • C33-H38-N4-O4.2C4-N4-O4

Molecular Formula Fragments

  • C33-H38-N4-O4
  • C4-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C33H38N4O4.2C4H4O4/c1-39-30-22-26(23-31(40-2)33(30)41-3)29(38)15-17-37-28-14-8-7-13-27(28)34-32(37)24-36-20-18-35(19-21-36)16-9-12-25-10-5-4-6-11-25;2*5-3(6)1-2-4(7)8/h4-14,22-23H,15-21,24H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b12-9+;2*2-1+

InChIKey

ZRLQSLWZIHVPOH-DVHCJWIYSA-N

Smiles

COc1c(c(cc(c1)C(=O)CCn2c(nc3c2cccc3)CN4CCN(CC4)C/C=C/c5ccccc5)OC)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 LD oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #3862177,