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Substance Name: Ethanone, 1-(2-(3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)-4-(phenylmethoxy)phenyl)-, dihydrochloride, (+-)-
RN: 49646-21-1
InChIKey: VHXVZFZOHQFGRW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-N2-O4.2Cl-H

Molecular Weight

  • 561.546
 
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Names and Synonyms

  • Ethanone, 1-(2-(3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-2-hydroxypropoxy)-4-(phenylmethoxy)phenyl)-, dihydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 49646-21-1

System Generated Number

  • 0049646211

Molecular Formulas

Molecular Formula

  • C30-H36-N2-O4.2Cl-H

Molecular Formula Fragments

  • C30-H36-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H36N2O4.2ClH/c1-22-9-10-26(17-23(22)2)32-15-13-31(14-16-32)19-27(34)21-36-30-18-28(11-12-29(30)24(3)33)35-20-25-7-5-4-6-8-25;;/h4-12,17-18,27,34H,13-16,19-21H2,1-3H3;2*1H

InChIKey

VHXVZFZOHQFGRW-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1OC[C@@H](CN1CCN(CC1)c1cc(c(cc1)C)C)O)OCc1ccccc1)(=O)C.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.