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Substance Name: 1-Butanone, 4-(4-(2-(4-methoxyphenoxy)ethyl)-1-piperazinyl)-1-phenyl-, dihydrochloride
RN: 40986-96-7
InChIKey: YUJTYVYMAQHOQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O3.2Cl-H

Molecular Weight

  • 455.4228
 
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Names and Synonyms

Synonyms

  • 4-(4-(2-(4-Methoxyphenoxy)ethyl)-1-piperazinyl)-1-phenyl-1-butanone dihydrochloride
  • N(sup 1)-(3-Benzoylpropyl)-N(sup 2)-(2-(4'-methoxyphenoxy)ethyl)piperazine dihydrochloride

Systematic Name

  • 1-Butanone, 4-(4-(2-(4-methoxyphenoxy)ethyl)-1-piperazinyl)-1-phenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 40986-96-7

System Generated Number

  • 0040986967

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O3.2Cl-H

Molecular Formula Fragments

  • C23-H30-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30N2O3.2ClH/c1-27-21-9-11-22(12-10-21)28-19-18-25-16-14-24(15-17-25)13-5-8-23(26)20-6-3-2-4-7-20;;/h2-4,6-7,9-12H,5,8,13-19H2,1H3;2*1H

InChIKey

YUJTYVYMAQHOQD-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)OCCN2CCN(CC2)CCCC(=O)c3ccccc3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 249mg/kg (249mg/kg)   United States Patent Document. Vol. #3969356,