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Substance Name: 1-Piperazinehexanoic acid, 4-(3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl)-, monohydrochloride, (E)-
RN: 97167-16-3
InChIKey: SLUBQDQFHALYES-WVLIHFOGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N2-O5.Cl-H

Molecular Weight

  • 410.8953
 
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Names and Synonyms

  • 1-Piperazinehexanoic acid, 4-(3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl)-, monohydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 97167-16-3

System Generated Number

  • 0097167163

Molecular Formulas

Molecular Formula

  • C20-H26-N2-O5.Cl-H

Molecular Formula Fragments

  • C20-H26-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O5.ClH/c23-19(8-6-16-5-7-17-18(14-16)27-15-26-17)22-12-10-21(11-13-22)9-3-1-2-4-20(24)25;/h5-8,14H,1-4,9-13,15H2,(H,24,25);1H/b8-6+;

InChIKey

SLUBQDQFHALYES-WVLIHFOGSA-N

Smiles

N1(C(=O)/C=C/c2cc3c(OCO3)cc2)CCN(CC1)CCCCCC(=O)O.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,