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Substance Name: Dichloroisoproterenol
RN: 59-61-0
UNII: U7NOE2K4M2
InChIKey: VKMGSWIFEHZQRS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H15-Cl2-N-O

Molecular Weight

  • 248.152
 
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Names and Synonyms

Name of Substance

  • Dichloroisoproterenol

Synonyms

  • 1-(3,4-Dichlorophenyl)-2-isopropylaminoethanol
  • 3,4-Dichlor-isoproterenol
  • 3,4-Dichlor-isoproterenol [German]
  • 3,4-Dichloro-alpha-(((1-methylethyl)amino)methyl)benzenemethanol
  • 3,4-Dichloro-alpha-(isopropylaminomethyl)benzyl alcohol
  • beta-Hydroxy-N-isopropyl-3,4-dichlorophenethylamine
  • BRN 2807251
  • DCI
  • Dichlorisoprenaline
  • Dichlorisoprenaline [German]
  • Dichlorisoproterenol
  • Dichloroisoprenaline
  • N-(beta-(3,4-Dichlorophenyl)-beta-hydroxyethyl)isopropylamine
  • UNII-U7NOE2K4M2

Systematic Name

  • Benzyl alcohol, 3,4-dichloro-alpha-((isopropylamino)methyl)-

Registry Numbers

CAS Registry Number

  • 59-61-0

FDA UNII

  • U7NOE2K4M2

System Generated Number

  • 0000059610

Structure Descriptors

InChI

1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3

InChIKey

VKMGSWIFEHZQRS-UHFFFAOYSA-N

Smiles

c1(cc(ccc1Cl)[C@@H](CNC(C)C)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 39mg/kg (39mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 48, 1968.
mouse LD50 oral 165mg/kg (165mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 48, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.32 (none)   EXP
Water Solubility 361 mg/L 25 EST
Vapor Pressure 4.28E-06 mm Hg 25 EST
Henry's Law Constant 6.31E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.02E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.