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Substance Name: 2-Propanol, 1-(4-(3,4-dimethylphenyl)piperazinyl)-3-(2-(1-hydroxyethyl)phenoxy)-, dihydrochloride
RN: 49646-20-0
InChIKey: GWEKFXIDRLUTTF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-N2-O3.2Cl-H

Molecular Weight

  • 457.439
 
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Names and Synonyms

Synonym

  • 1-Piperazineethanol, alpha-(o-(1-hydroxyethyl)phenoxy)-4-(3,4-xylyl)-, dihydrochloride

Systematic Name

  • 2-Propanol, 1-(4-(3,4-dimethylphenyl)piperazinyl)-3-(2-(1-hydroxyethyl)phenoxy)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 49646-20-0

System Generated Number

  • 0049646200

Molecular Formulas

Molecular Formula

  • C23-H32-N2-O3.2Cl-H

Molecular Formula Fragments

  • C23-H32-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H32N2O3.2ClH/c1-17-8-9-20(14-18(17)2)25-12-10-24(11-13-25)15-21(27)16-28-23-7-5-4-6-22(23)19(3)26;;/h4-9,14,19,21,26-27H,10-13,15-16H2,1-3H3;2*1H

InChIKey

GWEKFXIDRLUTTF-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)c1cc(c(cc1)C)C)C[C@@H](O)COc1c(cccc1)[C@@H](C)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal Chemistry. Vol. 16, Pg. 797, 1973.