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Substance Name: Ethanone, 1-(2,5-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-, dihydrochloride
RN: 87049-28-3
InChIKey: GXPNFROHEOLVAO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H46-N2-O7.2Cl-H

Molecular Weight

  • 691.688
 
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Names and Synonyms

Synonym

  • 1-(2,5-Bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone 2HCl

Systematic Name

  • Ethanone, 1-(2,5-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 87049-28-3

System Generated Number

  • 0087049283

Molecular Formulas

Molecular Formula

  • C36-H46-N2-O7.2Cl-H

Molecular Formula Fragments

  • C36-H46-N2-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C36H46N2O7.2ClH/c1-27(39)33-22-32(44-25-30(40)23-37-18-14-35(42,15-19-37)28-8-4-2-5-9-28)12-13-34(33)45-26-31(41)24-38-20-16-36(43,17-21-38)29-10-6-3-7-11-29;;/h2-13,22,30-31,40-43H,14-21,23-26H2,1H3;2*1H

InChIKey

GXPNFROHEOLVAO-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](C[C@@H](COc2c(cc(OC[C@@H](C[NH+]3CCC(c4ccccc4)(O)CC3)O)cc2)C(C)=O)O)CC1)O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 82500ug/kg (82.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 140, 1983.