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Fluvoxamine maleate

CAT: 0607-A2553-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A2553-10Size:10 mg
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Description
Serotonin reuptake inhibitor,selective,antidepressant
CAS Number
61718-82-9
Product Name Alternative
(Z)-but-2-enedioic acid;2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Field of Research
GPCR G protein 5-HT Receptor Neuroscience 5-HT Receptor
Purity
0.995
Form
A solid
Solubility
≥21.72 mg/mL in DMSO; ≥2.78 mg/mL in H2O with gentle warming and ultrasonic; ≥56.7 mg/mL in EtOH
Smiles
COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F.C(=CC(=O)O)C(=O)O
Molecular Formula
C14H18F3N2O2·C4H4O4
Molecular Weight
434.41
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Fluvoxamine Maleate

Fluvoxamine maleate is a member of (trifluoromethyl)benzenes.

CAS Number61718-82-9
PubChem CID9560989
IUPAC Name(Z)-but-2-enedioic acid;2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Molecular FormulaC19H25F3N2O6
Molecular Weight434.4
Topological Polar Surface Area131
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity446
SMILES
COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F.C(=C\C(=O)O)\C(=O)O
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-
InChIKey
LFMYNZPAVPMEGP-PIDGMYBPSA-N
Chemical Structure
2D Structure
2D structure of Fluvoxamine Maleate
CAS: 61718-82-9
CID: 9560989
Formula: C19H25F3N2O6
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight434.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass434.16647101
Monoisotopic Mass434.16647101
Topological Polar Surface Area131 Ų
Heavy Atom Count30
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes