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C3

CAT: 0013-GTR19232482-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232482-01Size:50 mg
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Description
C3 is a potent and selective MAO-B inhibitor (IC50=0.021 μM vs. MAO-A IC50=26.8 μM) . In vivo, it protects against MPTP-induced dopamine depletion in mice, making it a valuable research tool for studying Parkinson's disease models and monoamine oxidase function.
CAS Number
2286257-25-6
Field of Research
Neuroscience
Smiles
C (N1[C@H] (C (N) =O) CC1) C2=CC=C (OCC3=CC (F) =CC=C3) C=C2
Molecular Formula
C18H19FN2O2
Molecular Weight
314.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MAO-B Inhibitor C3
CAS Number2286257-25-6
PubChem CID162650473
IUPAC Name(2S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
Molecular FormulaC18H19FN2O2
Molecular Weight314.4
XLogP2.4
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity398
SMILES
C1CN([C@@H]1C(=O)N)CC2=CC=C(C=C2)OCC3=CC(=CC=C3)F
InChI
InChI=1S/C18H19FN2O2/c19-15-3-1-2-14(10-15)12-23-16-6-4-13(5-7-16)11-21-9-8-17(21)18(20)22/h1-7,10,17H,8-9,11-12H2,(H2,20,22)/t17-/m0/s1
InChIKey
ALMGCZWDJHPQIA-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of MAO-B Inhibitor C3
CAS: 2286257-25-6
CID: 162650473
Formula: C18H19FN2O2
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass314.14305602
Monoisotopic Mass314.14305602
Topological Polar Surface Area55.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity398
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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