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Substance Name: 2-Propanol, 1-(2-acetyl-5-hydroxyphenoxy)-3-(4-(3,4-dimethylphenyl)piperazinyl)-, dihydrochloride
RN: 63744-51-4
InChIKey: IBUZZCYYOXZDPV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O4.2Cl-H

Molecular Weight

  • 471.422
 
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Names and Synonyms

Synonyms

  • 1-(2-Acetyl-5-hydroxyphenoxy)-2-hydroxy-3-(N(sup 4)-(3,4-dimethylphenyl)piperazinyl)propane
  • Acetophenone, 4-hydroxy-2-(2-hydroxy-3-(4-(3,4-xylyl)-1-piperazinyl)propoxy)-, dihydrochloride

Systematic Name

  • 2-Propanol, 1-(2-acetyl-5-hydroxyphenoxy)-3-(4-(3,4-dimethylphenyl)piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 63744-51-4

System Generated Number

  • 0063744514

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O4.2Cl-H

Molecular Formula Fragments

  • C23-H30-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30N2O4.2ClH/c1-16-4-5-19(12-17(16)2)25-10-8-24(9-11-25)14-21(28)15-29-23-13-20(27)6-7-22(23)18(3)26;;/h4-7,12-13,21,27-28H,8-11,14-15H2,1-3H3;2*1H

InChIKey

IBUZZCYYOXZDPV-UHFFFAOYSA-N

Smiles

N1(c2cc(C)c(cc2)C)CCN(CC1)C[C@@H](COc1c(ccc(c1)O)C(=O)C)O.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. 16, Pg. 797, 1973.