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Substance Name: Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-chloro-5-fluoro-, hydrochloride
RN: 56795-23-4
InChIKey: CZJFFCHZGPFPRG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-Cl-F-N2-O.Cl-H

Molecular Weight

  • 297.199
 
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Names and Synonyms

Synonyms

  • 4-Amino-alpha-((tert-butylamino)methyl)-3-chloro-5-fluorobenzyl alcohol hydrochloride
  • Benzenemethanol, 4-amino-3-chloro-alpha-(((1,1-dimethylethyl)amino)methyl)-5-fluoro-, HCl

Systematic Name

  • Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-chloro-5-fluoro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 56795-23-4

System Generated Number

  • 0056795234

Molecular Formulas

Molecular Formula

  • C12-H18-Cl-F-N2-O.Cl-H

Molecular Formula Fragments

  • C12-H18-Cl-F-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18ClFN2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H

InChIKey

CZJFFCHZGPFPRG-UHFFFAOYSA-N

Smiles

C([NH2+]C[C@@H](c1cc(c(N)c(c1)Cl)F)O)(C)(C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35100ug/kg (35.1mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 34, Pg. 1625, 1984.