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Substance Name: Benzonitrile, 2-amino-5-(2-(tert-butylamino)-1-hydroxyethyl)-3-fluoro-, hydrochloride
RN: 56340-28-4
InChIKey: FZCUPXLOELNEJK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-F-N3-O.Cl-H

Molecular Weight

  • 287.764
 
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Names and Synonyms

Synonym

  • 2-Amino-5-(2-(tert-butylamino)-1-hydroxyethyl)-3-fluorobenzonitrile hydrochloride

Systematic Name

  • Benzonitrile, 2-amino-5-(2-(tert-butylamino)-1-hydroxyethyl)-3-fluoro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 56340-28-4

System Generated Number

  • 0056340284

Molecular Formulas

Molecular Formula

  • C13-H18-F-N3-O.Cl-H

Molecular Formula Fragments

  • C13-H18-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18FN3O.ClH/c1-13(2,3)17-7-11(18)8-4-9(6-15)12(16)10(14)5-8;/h4-5,11,17-18H,7,16H2,1-3H3;1H

InChIKey

FZCUPXLOELNEJK-UHFFFAOYSA-N

Smiles

c1(cc(c(N)c(c1)F)C#N)[C@@H](C[NH2+]C(C)(C)C)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 58400ug/kg (58.4mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 34, Pg. 1625, 1984.