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AMG-333 1mg

CAT: 0628-A17182-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A17182-1Size:1 mg
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CAS Number
1416799-28-4

Chemical Information

Amg 333

a potent and highly selective antagonist of TRPM8

CAS Number1416799-28-4
PubChem CID71144018
IUPAC Name6-[[(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]carbamoyl]pyridine-3-carboxylic acid
Molecular FormulaC20H12F5N3O4
Molecular Weight453.3
XLogP3.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity668
SMILES
C1=CC(=C(N=C1)[C@H](C2=CC(=C(C=C2)OC(F)(F)F)F)NC(=O)C3=NC=C(C=C3)C(=O)O)F
InChI
InChI=1S/C20H12F5N3O4/c21-12-2-1-7-26-17(12)16(10-4-6-15(13(22)8-10)32-20(23,24)25)28-18(29)14-5-3-11(9-27-14)19(30)31/h1-9,16H,(H,28,29)(H,30,31)/t16-/m0/s1
InChIKey
QEBYISWYMFIXOZ-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Amg 333
CAS: 1416799-28-4
CID: 71144018
Formula: C20H12F5N3O4
MW: 453.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.3
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass453.07479668
Monoisotopic Mass453.07479668
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity668
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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