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Substance Name: Ethanone, 1-(2,5-bis(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, dihydrochloride
RN: 87049-13-6
InChIKey: DIXJVWGTNZXSMZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H38-N2-O5.2Cl-H

Molecular Weight

  • 483.473
 
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Names and Synonyms

Synonyms

  • 1-(2,5-Bis(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)ethanone dihydrochloride
  • 2,5-Bis((tert-butylamino)-2-hydroxypropoxy)acetophenone dihydrochloride

Systematic Name

  • Ethanone, 1-(2,5-bis(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 87049-13-6

System Generated Number

  • 0087049136

Molecular Formulas

Molecular Formula

  • C22-H38-N2-O5.2Cl-H

Molecular Formula Fragments

  • C22-H38-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H38N2O5.2ClH/c1-15(25)19-10-18(28-13-16(26)11-23-21(2,3)4)8-9-20(19)29-14-17(27)12-24-22(5,6)7;;/h8-10,16-17,23-24,26-27H,11-14H2,1-7H3;2*1H

InChIKey

DIXJVWGTNZXSMZ-UHFFFAOYSA-N

Smiles

c1(c(cc(OC[C@@H](C[NH2+]C(C)(C)C)O)cc1)C(C)=O)OC[C@@H](C[NH2+]C(C)(C)C)O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 14700ug/kg (14.7mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 140, 1983.