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Substance Name: 1-Propanone, 1-(1-(3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)-2-naphthalenyl)-, dihydrochloride, (+-)-
RN: 49646-24-4
InChIKey: ZWYFUCNQYGDKPK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-N2-O3.2Cl-H

Molecular Weight

  • 519.509
 
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Names and Synonyms

  • 1-Propanone, 1-(1-(3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)-2-naphthalenyl)-, dihydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 49646-24-4

System Generated Number

  • 0049646244

Molecular Formulas

Molecular Formula

  • C28-H34-N2-O3.2Cl-H

Molecular Formula Fragments

  • C28-H34-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H34N2O3.2ClH/c1-4-27(32)26-12-10-22-7-5-6-8-25(22)28(26)33-19-24(31)18-29-13-15-30(16-14-29)23-11-9-20(2)21(3)17-23;;/h5-12,17,24,31H,4,13-16,18-19H2,1-3H3;2*1H

InChIKey

ZWYFUCNQYGDKPK-UHFFFAOYSA-N

Smiles

C(=O)(c1c(c2ccccc2cc1)OC[C@@H](CN1CCN(CC1)c1cc(c(cc1)C)C)O)CC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 797, 1973.