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Relutrigine

CAT: 0127-BUP23833-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP23833-01Size:25 mg
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CAS Number
2392951-29-8
Synonyms
PRAX 562, PRAX562, PRAX-562
Purity
≥98%
Smiles
C (OCC) (F) (F) C=1N2C (=NN1) C=NC (=C2) C=3C=C (F) C (OCC (F) (F) F) =NC3

Chemical Information

Prax-562

Relutrigine is a small molecule drug. The usage of the INN stem '-trigine' in the name indicates that Relutrigine is a sodium channel blocker, signal transduction modulator. Relutrigine is under investigation in clinical trial NCT07010471 (A Clinical Trial for Participants With DEE to Assess Efficacy, Safety, Tolerability, and PK of Relutrigine). Relutrigine has a monoisotopic molecular weight of 407.08 Da.

CAS Number2392951-29-8
PubChem CID147075611
IUPAC Name3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
Molecular FormulaC15H11F6N5O2
Molecular Weight407.27
XLogP3
Topological Polar Surface Area74.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity528
SMILES
CCOC(C1=NN=C2N1C=C(N=C2)C3=CC(=C(N=C3)OCC(F)(F)F)F)(F)F
InChI
InChI=1S/C15H11F6N5O2/c1-2-28-15(20,21)13-25-24-11-5-22-10(6-26(11)13)8-3-9(16)12(23-4-8)27-7-14(17,18)19/h3-6H,2,7H2,1H3
InChIKey
BFXBSYMVTNEFRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prax-562
CAS: 2392951-29-8
CID: 147075611
Formula: C15H11F6N5O2
MW: 407.27
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.27
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass407.08169358
Monoisotopic Mass407.08169358
Topological Polar Surface Area74.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity528
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-148792-01Relutrigine

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