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Substance Name: Tobanum
RN: 54247-25-5
UNII: 79SQ2WFQ23
InChIKey: GSMITOPOWVFGOM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-Cl2-N-O2.Cl-H

Molecular Weight

  • 328.665
 
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Names and Synonyms

Name of Substance

  • Tobanum

Synonyms

  • 1-(2,5-Dichlorophenoxy)-3-((1,1-dimethylethyl)amino)-2-propanol hydrochloride
  • 1-(2,5-Dichlorophenoxy)-3-(tert-butylamino)-2-propanol hydrochloride
  • 1-(2,5-Diclorofenoxi)-3-(tert-butilamino)-2-propanol clorhidrato
  • 1-(2,5-Diclorofenoxi)-3-(tert-butilamino)-2-propanol clorhidrato [Spanish]
  • Chlorpropanol hydrochloride
  • Cloranolol HCl
  • Cloranolol hydrochloride
  • EINECS 259-044-6
  • GYKI-41099
  • Tobanum
  • UNII-79SQ2WFQ23

Systematic Names

  • 1-(tert-Butylamino)-3-(2,5-dichlorophenoxy)propan-2-ol hydrochloride
  • 2-Propanol, 1-(2,5-dichlorophenoxy)-3-((1,1-dimethylethyl)amino)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 54247-25-5

FDA UNII

  • 79SQ2WFQ23

Related Registry Number

  • 39563-28-5 (Parent)

System Generated Number

  • 0054247255

Molecular Formulas

Molecular Formula

  • C13-H19-Cl2-N-O2.Cl-H

Molecular Formula Fragments

  • C13-H19-Cl2-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H19Cl2NO2.ClH/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15;/h4-6,10,16-17H,7-8H2,1-3H3;1H

InChIKey

GSMITOPOWVFGOM-UHFFFAOYSA-N

Smiles

C([C@@H](CNC(C)(C)C)O)Oc1c(ccc(c1)Cl)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Medicamentos de Actualidad. Vol. 21, Pg. 529, 1985.
mouse LD50 oral 450mg/kg (450mg/kg)   Medicamentos de Actualidad. Vol. 21, Pg. 529, 1985.
rat LD50 intravenous 25mg/kg (25mg/kg)   Medicamentos de Actualidad. Vol. 21, Pg. 529, 1985.
rat LD50 oral 1300mg/kg (1300mg/kg)   Medicamentos de Actualidad. Vol. 21, Pg. 529, 1985.