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Substance Name: Acetophenone, 3'-((3-(4-(3,4-dimethoxyphenyl)piperazinyl)-2-hydroxy)propoxy)-, dihydrochloride
RN: 63990-71-6
InChIKey: IRUXAEDBQBZIGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O5.2Cl-H

Molecular Weight

  • 487.421
 
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Names and Synonyms

  • Acetophenone, 3'-((3-(4-(3,4-dimethoxyphenyl)piperazinyl)-2-hydroxy)propoxy)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 63990-71-6

System Generated Number

  • 0063990716

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O5.2Cl-H

Molecular Formula Fragments

  • C23-H30-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30N2O5.2ClH/c1-17(26)18-5-4-6-21(13-18)30-16-20(27)15-24-9-11-25(12-10-24)19-7-8-22(28-2)23(14-19)29-3;;/h4-8,13-14,20,27H,9-12,15-16H2,1-3H3;2*1H

InChIKey

IRUXAEDBQBZIGG-UHFFFAOYSA-N

Smiles

Cl.N1(c2cc(OC)c(cc2)OC)CCN(C[C@@H](COc2cc(C(=O)C)ccc2)O)CC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 797, 1973.