Fluvoxamine maleateProduct ingredient for Fluvoxamine

Name
Fluvoxamine maleate
Drug Entry
Fluvoxamine

Fluvoxamine is an antidepressant which functions pharmacologically as a selective serotonin reuptake inhibitor. Though it is in the same class as other SSRI drugs, it is most often used to treat obsessive-compulsive disorder. Fluvoxamine has been in use in clinical practice since 1983 and has a clinical trial database comprised of approximately 35,000 patients. It was launched in the US in December 1994 and in Japan in June 1999. As of the end of 1995, more than 10 million patients worldwide have been treated with fluvoxamine.

Accession Number
DBSALT000879
Structure
Synonyms
Fluvoxamine maleate
External IDs
DU23000 / SME 3110
UNII
5LGN83G74V
CAS Number
61718-82-9
Weight
Average: 434.412
Monoisotopic: 434.166471022
Chemical Formula
C19H25F3N2O6
InChI Key
LFMYNZPAVPMEGP-PIDGMYBPSA-N
InChI
InChI=1S/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b20-14+;2-1-
IUPAC Name
(2Z)-but-2-enedioic acid; (E)-(2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine
SMILES
OC(=O)\C=C/C(O)=O.COCCCC\C(=N/OCCN)C1=CC=C(C=C1)C(F)(F)F
PubChem Compound
9560989
ChemSpider
7837210
ChEBI
5139
ChEMBL
CHEMBL1409
Wikipedia
Fluvoxamine
Predicted Properties
PropertyValueSource
Water Solubility0.00734 mg/mLALOGPS
logP2.89ALOGPS
logP2.8Chemaxon
logS-4.6ALOGPS
pKa (Strongest Basic)8.86Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area56.84 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity79.2 m3·mol-1Chemaxon
Polarizability32.44 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon