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Befloxatone

CAT: 0931-T26761-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26761-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134564-82-2
Target
Others, Monoamine Oxidase
Related Pathways
Others, Neuroscience
Bioactivity
Befloxatone is a potent, selective and reversible inhibitor of monoamine oxidase A.
Smiles
O=C1N(C[C@H](COC)O1)C2=CC=C(OCC[C@H](C(F)(F)F)O)C=C2
Molecular Formula
C15H18F3NO5
Molecular Weight
349.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Befloxatone

Befloxatone is an aromatic ether.

CAS Number134564-82-2
PubChem CID60824
IUPAC Name(5R)-5-(methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one
Molecular FormulaC15H18F3NO5
Molecular Weight349.30
XLogP2.2
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity412
SMILES
COC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)OCC[C@H](C(F)(F)F)O
InChI
InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1
InChIKey
IALVDLPLCLFBCF-CHWSQXEVSA-N
Chemical Structure
2D Structure
2D structure of Befloxatone
CAS: 134564-82-2
CID: 60824
Formula: C15H18F3NO5
MW: 349.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.30
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass349.11370716
Monoisotopic Mass349.11370716
Topological Polar Surface Area68.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5776488Befloxatone

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