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Fluvoxamine

CAT: 0926-FF29182-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FF29182-04Size:1 g
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CAS Number
54739-18-3
MDL Number
MFCD00865345
Smiles
COCCCC/C (=N\OCCN) /C1=CC=C (C=C1) C (F) (F) F
Molecular Formula
C15H21F3N2O2
Molecular Weight
318.33 g/mol
Controlled
No

Chemical Information

Fluvoxamine

Fluvoxamine is an oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder. It has a role as an antidepressant, an anxiolytic drug and a serotonin uptake inhibitor. It is a 5-methoxyvalerophenone O-(2-aminoethyl)oxime and a member of (trifluoromethyl)benzenes. It is functionally related to a (trifluoromethyl)benzene.

CAS Number54739-18-3
PubChem CID5324346
IUPAC Name2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Molecular FormulaC15H21F3N2O2
Molecular Weight318.33
XLogP2.6
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity327
SMILES
COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
InChIKey
CJOFXWAVKWHTFT-XSFVSMFZSA-N
Chemical Structure
2D Structure
2D structure of Fluvoxamine
CAS: 54739-18-3
CID: 5324346
Formula: C15H21F3N2O2
MW: 318.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.33
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass318.15551240
Monoisotopic Mass318.15551240
Topological Polar Surface Area56.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity327
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-207697Fluvoxamine
A2553-10Fluvoxamine maleate
TRC-F603505-1MG(Z)-Fluvoxamine
TRC-F603490-10MGFluvoxamine Acid
TRC-D291630-5MGDesmethyl Fluvoxamine

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