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Substance Name: 3-Buten-2-one, 4-phenyl-3-(2-(2-piperidinoethoxy)phenoxy)-, hydrochloride, hydrate, (Z)-
RN: 106064-04-4
InChIKey: DUWJYNHFRLZUGC-XHMOQMQQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N-O3.Cl-H.H2-O

Molecular Weight

  • 401.931
 
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Names and Synonyms

Synonym

  • (Z)-4-Phenyl-3-(2-(2-piperidinoethoxy)phenoxy)-3-buten-2-one hydrochloride hydrate

Systematic Name

  • 3-Buten-2-one, 4-phenyl-3-(2-(2-piperidinoethoxy)phenoxy)-, hydrochloride, hydrate, (Z)-

Registry Numbers

CAS Registry Number

  • 106064-04-4

System Generated Number

  • 0106064044

Molecular Formulas

Molecular Formula

  • C23-H27-N-O3.Cl-H.H2-O

Molecular Formula Fragments

  • C23-H27-N-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H27NO3.ClH/c1-19(25)23(18-20-10-4-2-5-11-20)27-22-13-7-6-12-21(22)26-17-16-24-14-8-3-9-15-24;/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3;1H/b23-18+;

InChIKey

DUWJYNHFRLZUGC-XHMOQMQQSA-N

Smiles

c1(c(OCC[NH+]2CCCCC2)cccc1)O\C(=C\c1ccccc1)C(C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 63mg/kg (63mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.
rat LD50 intravenous 11200ug/kg (11.2mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.