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Substance Name: Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-morpholinyl)propoxy)phenyl)-, dihydrochloride
RN: 87049-18-1
InChIKey: VNQMKAHNUSPHMC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H34-N2-O7.2Cl-H

Molecular Weight

  • 511.439
 
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Names and Synonyms

Synonyms

  • 1-(2,4-Bis(2-hydroxy-3-(4-morpholinyl)propoxy)phenyl)ethanone dihydrochloride
  • 2,4-Bis((2-hydroxy-3-morpholino)propoxy)acetophenone dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 87049-18-1

System Generated Number

  • 0087049181

Molecular Formulas

Molecular Formula

  • C22-H34-N2-O7.2Cl-H

Molecular Formula Fragments

  • C22-H34-N2-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H34N2O7.2ClH/c1-17(25)21-3-2-20(30-15-18(26)13-23-4-8-28-9-5-23)12-22(21)31-16-19(27)14-24-6-10-29-11-7-24;;/h2-3,12,18-19,26-27H,4-11,13-16H2,1H3;2*1H

InChIKey

VNQMKAHNUSPHMC-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)OC[C@@H](C[NH+]1CCOCC1)O)C(C)=O)OC[C@@H](C[NH+]1CCOCC1)O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg) BEHAVIORAL: EXCITEMENT Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 140, 1983.