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Substance Name: Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-5-iodo-, hydrochloride
RN: 56340-16-0
InChIKey: FCWKPMXPBFEDCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-F-I-N2-O.Cl-H

Molecular Weight

  • 388.646
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56340-16-0

System Generated Number

  • 0056340160

Molecular Formulas

Molecular Formula

  • C12-H18-F-I-N2-O.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C12H18FIN2O.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

FCWKPMXPBFEDCX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25400ug/kg (25.4mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 34, Pg. 1625, 1984.