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Retigabine dihydrochloride

CAT: 0607-A3758-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-A3758-100Size:100 mg
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Description
Antiepileptic compound
CAS Number
150812-13-8
Product Name Alternative
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;dihydrochloride
Sequence
D 20443 dihydrochloride;D-20443 dihydrochloride;D20443 dihydrochloride
Field of Research
Membrane Transporter Ion Channel GABA Receptor Neuroscience GABA Receptor
Purity
0.9927
Form
A solid
Solubility
≥18.8 mg/mL in DMSO; ≥52.4 mg/mL in H2O with gentle warming; ≥8.71 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N.Cl.Cl
Molecular Formula
C16H20Cl2FN3O2
Molecular Weight
376.25
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ezogabine dihydrochloride

See also: Ezogabine (annotation moved to).

CAS Number150812-13-8
PubChem CID6918229
IUPAC Nameethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;dihydrochloride
Molecular FormulaC16H20Cl2FN3O2
Molecular Weight376.2
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity348
SMILES
CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N.Cl.Cl
InChI
InChI=1S/C16H18FN3O2.2ClH/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11;;/h3-9,19H,2,10,18H2,1H3,(H,20,21);2*1H
InChIKey
WSGFOWNASITQHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ezogabine dihydrochloride
CAS: 150812-13-8
CID: 6918229
Formula: C16H20Cl2FN3O2
MW: 376.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass375.0916604
Monoisotopic Mass375.0916604
Topological Polar Surface Area76.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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