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CNV1014802 hydrochloride

CAT: 1410-M16677-01Size: 1 EachDry Ice: NoHazardous: No
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Description
CNV1014802 (GSK-1014802, Raxatrigine, Vixotrigine) is a potent, selective Nav1.7 sodium channel blocker.
CAS Number
934240-31-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
350.815
Molecular Formula
C18H20ClFN2O2
Notes
Research use only, not for human use.
Receptor
Sodium Channel

Chemical Information

Vixotrigine Hydrochloride
CAS Number934240-31-0
PubChem CID16046067
IUPAC Name(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide;hydrochloride
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.8
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity398
SMILES
C1C[C@H](N[C@H]1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N.Cl
InChI
InChI=1S/C18H19FN2O2.ClH/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22;/h1-8,16-17,21H,9-11H2,(H2,20,22);1H/t16-,17+;/m1./s1
InChIKey
HEPUBAGOKRIZEO-PPPUBMIESA-N
Chemical Structure
2D Structure
2D structure of Vixotrigine Hydrochloride
CAS: 934240-31-0
CID: 16046067
Formula: C18H20ClFN2O2
MW: 350.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass350.1197337
Monoisotopic Mass350.1197337
Topological Polar Surface Area64.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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