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Substance Name: Piperazine, 1-(3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl)-4-(3-oxo-3-(1-pyrrolidinyl)propyl)-,monohydrochloride, (E)-
RN: 97181-31-2
InChIKey: XYVGOQRFVDOCJN-CVDVRWGVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-O4.Cl-H

Molecular Weight

  • 421.9222
 
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Names and Synonyms

Synonym

  • E-1-(3,4-Dioxymethylenecinnamoyl)-4-(2-pyrrolidinocarbonylethyl)piperazine hydrochloride

Systematic Name

  • Piperazine, 1-(3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl)-4-(3-oxo-3-(1-pyrrolidinyl)propyl)-,monohydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 97181-31-2

System Generated Number

  • 0097181312

Molecular Formulas

Molecular Formula

  • C21-H27-N3-O4.Cl-H

Molecular Formula Fragments

  • C21-H27-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N3O4.ClH/c25-20(6-4-17-3-5-18-19(15-17)28-16-27-18)24-13-11-22(12-14-24)10-7-21(26)23-8-1-2-9-23;/h3-6,15H,1-2,7-14,16H2;1H/b6-4+;

InChIKey

XYVGOQRFVDOCJN-CVDVRWGVSA-N

Smiles

N1(C(=O)/C=C/c2cc3c(OCO3)cc2)CCN(CCC(=O)N2CCCC2)CC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4808582,