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Substance Name: Acetophenone, 2'-((3-diisopropylamino-2-hydroxy)propoxy)-, hydrochloride
RN: 63990-69-2
InChIKey: XFJUBSCJIVHSLU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N-O3.Cl-H

Molecular Weight

  • 329.865
 
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Names and Synonyms

Synonym

  • 2'-((3-Diisopropylamino-2-hydroxy)propoxy)acetophenone hydrochloride

Systematic Name

  • Acetophenone, 2'-((3-diisopropylamino-2-hydroxy)propoxy)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63990-69-2

System Generated Number

  • 0063990692

Molecular Formulas

Molecular Formula

  • C17-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C17-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27NO3.ClH/c1-12(2)18(13(3)4)10-15(20)11-21-17-9-7-6-8-16(17)14(5)19;/h6-9,12-13,15,20H,10-11H2,1-5H3;1H

InChIKey

XFJUBSCJIVHSLU-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(C)=O)OC[C@@H](C[NH+](C(C)C)C(C)C)O.[ClH-]

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.