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Substance Name: Flumexadol HCl
RN: 31599-68-5
UNII: 051LY093UV
InChIKey: KXLNFFBTSVJQCR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-F3-N-O.Cl-H

Molecular Weight

  • 267.677
 
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Names and Synonyms

Results Name

  • Flumexadol HCl

Name of Substance

  • Flumexadol HCl

Synonyms

  • 2-(3-Trifluoromethyl)phenyltetrahydro-1,4-oxazine hydrochloride
  • 2-(alpha,alpha,alpha-Trifluoro-m-tolyl)morpholine hydrochloride
  • Flumexadol hydrochloride
  • NSC 315283
  • UNII-051LY093UV

Systematic Name

  • Morpholine, 2-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 31599-68-5

FDA UNII

  • 051LY093UV

System Generated Number

  • 0031599685

Molecular Formulas

Molecular Formula

  • C11-H12-F3-N-O.Cl-H

Molecular Formula Fragments

  • C11-H12-F3-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H12F3NO.ClH/c12-11(13,14)9-3-1-2-8(6-9)10-7-15-4-5-16-10;/h1-3,6,10,15H,4-5,7H2;1H

InChIKey

KXLNFFBTSVJQCR-UHFFFAOYSA-N

Smiles

C1[C@@H](OCCN1)c1cc(ccc1)C(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg)   United States Patent Document. Vol. #3637680,
mouse LD50 oral 600mg/kg (600mg/kg)   United States Patent Document. Vol. #3637680,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.18 (none)   EXP
Water Solubility 4200 mg/L 25 EST
Vapor Pressure 2.60E-03 mm Hg 25 EST
Henry's Law Constant 8.00E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.36E-11 cm3/molecule-sec 25 EST

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