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Substance Name: Benzonitrile, 2-amino-3-fluoro-5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, monohydrochloride
RN: 97761-11-0
InChIKey: TVNWRWIXFJERNS-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-F-N3-O.Cl-H

Molecular Weight

  • 273.7373
 
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Names and Synonyms

Synonyms

  • 1-(4-Amino-3-cyan-5-fluor-phenyl)-2-isopropylamino-aethanol-hydrochlorid
  • 1-(4-Amino-3-cyan-5-fluor-phenyl)-2-isopropylamino-aethanol-hydrochlorid [German]

Systematic Name

  • Benzonitrile, 2-amino-3-fluoro-5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 97761-11-0

System Generated Number

  • 0097761110

Molecular Formulas

Molecular Formula

  • C12-H16-F-N3-O.Cl-H

Molecular Formula Fragments

  • C12-H16-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H16FN3O.ClH/c1-7(2)16-6-11(17)8-3-9(5-14)12(15)10(13)4-8;/h3-4,7,11,16-17H,6,15H2,1-2H3;1H

InChIKey

TVNWRWIXFJERNS-UHFFFAOYSA-N

Smiles

CC(C)NCC(c1cc(c(c(c1)F)N)C#N)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 66400ug/kg (66.4mg/kg)   European Patent Application. Vol. #0057900,