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AZD-3161

CAT: 1410-M11520-01Size: 1 EachDry Ice: NoHazardous: No
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Description
AZD-3161 is a potent and selective sodium channel Nav1.7 blocker for treatment of nociceptive pain.
CAS Number
1369501-46-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
459.56
Molecular Formula
C26H25N3O3S
Notes
Research use only, not for human use.
Receptor
Sodium Channel

Chemical Information

Azd-3161
CAS Number1369501-46-1
PubChem CID56945146
IUPAC NameN-[(3S)-5-(5-methoxypyrazin-2-yl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
Molecular FormulaC23H21F3N4O4
Molecular Weight474.4
XLogP2.5
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity671
SMILES
COC1=NC=C(N=C1)C2=C3C[C@@H](COC3=CC=C2)NC(=O)C4=CN=C(C=C4)COCC(F)(F)F
InChI
InChI=1S/C23H21F3N4O4/c1-32-21-10-28-19(9-29-21)17-3-2-4-20-18(17)7-16(12-34-20)30-22(31)14-5-6-15(27-8-14)11-33-13-23(24,25)26/h2-6,8-10,16H,7,11-13H2,1H3,(H,30,31)/t16-/m0/s1
InChIKey
LRHQXIQLHVPUNA-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Azd-3161
CAS: 1369501-46-1
CID: 56945146
Formula: C23H21F3N4O4
MW: 474.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass474.15148965
Monoisotopic Mass474.15148965
Topological Polar Surface Area95.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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