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Substance Name: Piperazine, 1-(o-chlorophenyl)-4-((3,4,5-trimethoxybenzoyl)acetyl)-, hydrate
RN: 23776-28-5
InChIKey: ZKVOTJVGDCFDCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-Cl-N2-O5.H2-O

Molecular Weight

  • 432.9015
 
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Names and Synonyms

Synonym

  • 1-(o-Chlorophenyl)-4-((3,4,5-trimethoxybenzoyl)acetyl)-piperazine hydrate

Systematic Name

  • Piperazine, 1-(o-chlorophenyl)-4-((3,4,5-trimethoxybenzoyl)acetyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 23776-28-5

System Generated Number

  • 0023776285

Molecular Formulas

Molecular Formula

  • C22-H25-Cl-N2-O5.H2-O

Molecular Formula Fragments

  • C22-H25-Cl-N2-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H25ClN2O5/c1-28-19-12-15(13-20(29-2)22(19)30-3)18(26)14-21(27)25-10-8-24(9-11-25)17-7-5-4-6-16(17)23/h4-7,12-13H,8-11,14H2,1-3H3

InChIKey

ZKVOTJVGDCFDCH-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)C(=O)CC(=O)N2CCN(CC2)c3ccccc3Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 865, 1969.