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Etifoxine hydrochloride

CAT: 0607-A3401-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3401-50Size:50 mg
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Description
GABAA receptor potentiator
CAS Number
56776-32-0
Product Name Alternative
6-chloro-N-ethyl-4-methyl-4-phenyl-3,1-benzoxazin-2-amine;hydrochloride
Sequence
Stresam;HOE 36-801
Field of Research
Membrane Transporter Ion Channel GABA Receptor Neuroscience GABA Receptor
Purity
0.9987
Form
A solid
Solubility
≥33.7 mg/mL in DMSO with gentle warming; ≥15.49 mg/mL in H2O with gentle warming; ≥48.1 mg/mL in EtOH with gentle warming
Smiles
CCNC1=NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3.Cl
Molecular Formula
C17H18Cl2N2O
Molecular Weight
337.24
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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...
View on PubChemRaw 3D data
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

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