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Substance Name: Tertatolol hydrochloride
RN: 33580-30-2
UNII: 9SDH60Z1NO
InChIKey: LPBCJDNVLKNRAZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O2-S.Cl-H

Molecular Weight

  • 331.905
 
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Names and Synonyms

Name of Substance

  • Tertatolol hydrochloride

Synonyms

  • (+-)-1-(tert-Butylamino)-3-(thiochroman-8-yloxy)-2-propanol hydrochloride
  • 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)-
  • Artex
  • Chlorhydrate de dl-(hydroxy-2' t-butylamino-3' propyloxy)-8 thiochromane
  • Chlorhydrate de dl-(hydroxy-2' t-butylamino-3' propyloxy)-8 thiochromane [French]
  • EINECS 251-578-8
  • S 2395
  • SE 2395
  • Tertatolol HCl
  • Tertatolol hydrochloride
  • UNII-9SDH60Z1NO

Systematic Names

  • (1)-1-(tert-Butylamino)-3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)propan-2-ol hydrochloride
  • 2-Propanol, 1-(tert-butylamino)-3-(thiochroman-8-yloxy)-, hydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 33580-30-2

FDA UNII

  • 9SDH60Z1NO

Other Registry Number

  • 76544-35-9

System Generated Number

  • 0033580302

Molecular Formulas

Molecular Formula

  • C16-H25-N-O2-S.Cl-H

Molecular Formula Fragments

  • C16-H25-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO2S.ClH/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14;/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3;1H

InChIKey

LPBCJDNVLKNRAZ-UHFFFAOYSA-N

Smiles

C([C@@H](CNC(C)(C)C)O)Oc1cccc2CCCSc12.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 201, Pg. 334, 1973.
mouse LD50 intravenous 39mg/kg (39mg/kg)   Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 273, Pg. 1234, 1971.
mouse LD50 oral 210mg/kg (210mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 201, Pg. 334, 1973.
rat LD50 intraperitoneal 90mg/kg (90mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 201, Pg. 334, 1973.
rat LD50 intravenous 40mg/kg (40mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 201, Pg. 334, 1973.