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Substance Name: 2-Propanol, 1-(4-ethylsulfinylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride
RN: 63744-55-8
InChIKey: IRMGMLDQRYBJGV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N2-O3-S.2Cl-H

Molecular Weight

  • 461.451
 
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Names and Synonyms

Synonym

  • 1-(4-Ethylsulfinylphenoxy)-3-(4-phenylpiperazinyl)propan-2-ol dihydrochloride

Systematic Name

  • 2-Propanol, 1-(4-ethylsulfinylphenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 63744-55-8

System Generated Number

  • 0063744558

Molecular Formulas

Molecular Formula

  • C21-H28-N2-O3-S.2Cl-H

Molecular Formula Fragments

  • C21-H28-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28N2O3S.2ClH/c1-2-27(25)21-10-8-20(9-11-21)26-17-19(24)16-22-12-14-23(15-13-22)18-6-4-3-5-7-18;;/h3-11,19,24H,2,12-17H2,1H3;2*1H

InChIKey

IRMGMLDQRYBJGV-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)C[C@@H](COc1ccc([S@@](=O)CC)cc1)O)c1ccccc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal Chemistry. Vol. 15, Pg. 286, 1972.