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Substance Name: Butocrolol hydrochloride
RN: 55165-36-1
UNII: 9S6M5WWT6P
InChIKey: OMNXUSQATUXCBP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O6.Cl-H

Molecular Weight

  • 397.8526
 
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Names and Synonyms

Name of Substance

  • Butocrolol hydrochloride

Synonyms

  • Furo(3,2-g)chromone, 9-(3-(t-butyl)amino-2-hydroxypropoxy)-4-hydroxy-7-methyl-, hydrochloride
  • UNII-9S6M5WWT6P

Systematic Name

  • 5H-Furo(3,2-g)(1)benzopyran-5-one, 9-(3-(tert-butyl)amino-2-hydroxypropoxy)-4-hydroxy-7-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 55165-36-1

FDA UNII

  • 9S6M5WWT6P

System Generated Number

  • 0055165361

Molecular Formulas

Molecular Formula

  • C19-H23-N-O6.Cl-H

Molecular Formula Fragments

  • C19-H23-N-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C19H23NO6.ClH/c1-10-7-13(22)14-15(23)12-5-6-24-16(12)18(17(14)26-10)25-9-11(21)8-20-19(2,3)4;/h5-7,11,20-21,23H,8-9H2,1-4H3;1H

InChIKey

OMNXUSQATUXCBP-UHFFFAOYSA-N

Smiles

Cl.CC1=CC(=O)c2c(O)c3ccoc3c(OCC(O)CNC(C)(C)C)c2O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 230mg/kg (230mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 563, 1974.
mouse LD50 intravenous 36mg/kg (36mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 563, 1974.
mouse LD50 oral 850mg/kg (850mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 563, 1974.