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54739-18-3

54739-18-3 structural image
Product Name: Fluvoxamine
Formula: C15H21F3N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point 120-121.5 °C
LogP 3.2

COMPUTED DESCRIPTORS

Molecular Weight 318.33 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 9
Exact Mass 318.15551240 g/mol
Monoisotopic Mass 318.15551240 g/mol
Topological Polar Surface Area 56.8 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 327
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

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, a serotonin uptake inhibitor and an anxiolytic drug. It is a 5-methoxyvalerophenone O-(2-aminoethyl)oxime and a member of (trifluoromethyl)benzenes. It is functionally related to a (trifluoromethyl)benzene.