Suzetrigine

CAT: 0607-BA6958-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6958-1Size:1 mg

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CAS Number

2649467-58-1

Form

A solid

Molecular Formula

C21H20F5N3O4

Molecular Weight

473.39

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Suzetrigine

Suzetrigine is a member of the class of oxolanes that is oxolane substituted by 4-aminoacyl-pyridine-2-carboxamide, 3,4-difluoro-2-methoxyphenyl, methyl, and trifluoromethyl groups at positions 2, 3, 4, 5, and 5, respectively (the 2R,3S,4S,5R-stereoisomer). It is a selective blocker of the NaV 1.8 voltage-gated sodium channel and has been approved for the treatment of moderate to severe acute pain in adults. It has a role as a non-narcotic analgesic and a voltage-gated sodium channel blocker. It is a primary carboxamide, a secondary carboxamide, a monomethoxybenzene, a pyridinecarboxamide, a member of oxolanes and a difluorobenzene.

CAS Number	2649467-58-1
PubChem CID	156445116
IUPAC Name	4-[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
Molecular Formula	C21H20F5N3O4
Molecular Weight	473.4
XLogP	3
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	741

SMILES

C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)NC2=CC(=NC=C2)C(=O)N)C3=C(C(=C(C=C3)F)F)OC

InChI

InChI=1S/C21H20F5N3O4/c1-9-14(11-4-5-12(22)15(23)16(11)32-3)17(33-20(9,2)21(24,25)26)19(31)29-10-6-7-28-13(8-10)18(27)30/h4-9,14,17H,1-3H3,(H2,27,30)(H,28,29,31)/t9-,14-,17+,20+/m0/s1

InChIKey

XSQUJFKRXZMOKA-PAFIKIDNSA-N

Chemical Structure

2D Structure

CAS: 2649467-58-1

CID: 156445116

Formula: C21H20F5N3O4

MW: 473.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	473.4
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	473.13739694
Monoisotopic Mass	473.13739694
Topological Polar Surface Area	104 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	741
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-507583	Suzetrigine
CS-O-61434	Suzetrigine-d6
CS-O-59185	Suzetrigine-d3
HY-160903-01	Suzetrigine phenol
RM-S452011-01	Suzetrigine Impurity 11
RM-S452010-01	Suzetrigine Impurity 10
RM-S452008-01	Suzetrigine Impurity 8
CS-O-59184	Rac-Suzetrigine-d6
GTR19216183-01	VX-548 (Suzetrigine)

Suzetrigine

Chemical Information

Alternative Products

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