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Substance Name: Benzenemethanol, 4-amino-3-chloro-alpha-((cyclobutylamino)methyl)-5-(trifluoromethyl)-, monohydrochloride
RN: 54238-77-6
InChIKey: MHWMCEILWDYPJN-UHFFFAOYSA-N

Molecular Formula

  • C13-H16-Cl-F3-N2-O.Cl-H

Molecular Weight

  • 345.1903
 
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Names and Synonyms

Synonyms

  • 1-(4-Amino-3-chlor-5-trifluoromethylphenyl)-2-cyclobutylamino-aethanol-hydrochlorid
  • 1-(4-Amino-3-chlor-5-trifluoromethylphenyl)-2-cyclobutylamino-aethanol-hydrochlorid [German]

Systematic Name

  • Benzenemethanol, 4-amino-3-chloro-alpha-((cyclobutylamino)methyl)-5-(trifluoromethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 54238-77-6

System Generated Number

  • 0054238776

Molecular Formulas

Molecular Formula

  • C13-H16-Cl-F3-N2-O.Cl-H

Molecular Formula Fragments

  • C13-H16-Cl-F3-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H16ClF3N2O.ClH/c14-10-5-7(4-9(12(10)18)13(15,16)17)11(20)6-19-8-2-1-3-8;/h4-5,8,11,19-20H,1-3,6,18H2;1H

InChIKey

MHWMCEILWDYPJN-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1C(F)(F)F)N)Cl)C(CNC2CCC2)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36300ug/kg (36.3mg/kg)   European Patent Application. Vol. #0057900,