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Etifoxine hydrochloride

CAT: 0013-GTR19157423-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157423-01Size:200 mg
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Description
Etifoxine is an anxiolytic and anticonvulsant drug. Unlike benzodiazepines, etifoxine appears to produce its anxiolytic effects by binding to β2 and β3 subunits of the GABAA receptor complex, and so is acting at a different target site to benzodiazepines, although the physiological effect that is produced is similar to that of benzodiazepines. (In Vitro) :Etifoxine (EFX), at concentrations ranging from 10 to 300 μM (higher concentrations limited its solubility), produces a dose-dependent increase in the [3H]muscimol binding at equilibrium, to 155±2% of its control value at 300 μM EFX. (In Vivo) :Etifoxine competitively inhibits [35S]TBPS binding with micromolar potency in rat brain.Etifoxine (3.125-50 mg/kg) exhibits more pronounced anxiolytic and anticonvulsant effects in the BALB/cByJ mice compared to the C57BL/6J mice.
CAS Number
56776-32-0
Product Name Alternative
HOE 36-801 hydrochloride
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO:50 mg/mL (148.26 mM; Need ultrasonic)
Smiles
ClC1=CC=C2C (C (C3=CC=CC=C3) (C) OC (NCC) =N2) =C1.Cl
Molecular Formula
C17H18Cl2N2O
Molecular Weight
337.24
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Etifoxine hydrochloride
CAS Number56776-32-0
PubChem CID135413552
IUPAC Name6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine;hydrochloride
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.2
Topological Polar Surface Area33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity394
SMILES
CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3.Cl
InChI
InChI=1S/C17H17ClN2O.ClH/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12;/h4-11H,3H2,1-2H3,(H,19,20);1H
InChIKey
SCBJXEBIMVRTJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etifoxine hydrochloride
CAS: 56776-32-0
CID: 135413552
Formula: C17H18Cl2N2O
MW: 337.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight337.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass336.0796186
Monoisotopic Mass336.0796186
Topological Polar Surface Area33.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes