CAS 61718-82-9

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Also known as: (e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one o-(2-aminoethyl) oxime maleate, Fluvoxamin e, Mk-264, (e)-fluvoxamine maleate, Fluvoxamine-[d4] maleate, Du-23000 (maleate)

Molecular Formula

C₁₉H₂₅F₃N₂O₆

Molecular Weight

434.4 g/mol

InChI Key

LFMYNZPAVPMEGP-SHNAKOFWSA-N

Fluvoxamine Maleate is the maleate salt form of fluvoxamine, a 2-aminoethyl oxime ether of aralkylketones, with antidepressant, antiobsessive-compulsive, and antibulimic activities. Fluvoxamine blocks serotonin reuptake by inhibiting the serotonin reuptake pump of the presynaptic neuronal membrane leading to an increase of serotonin levels within the synaptic cleft. This results in facilitated serotonergic transmission and decreased serotonin turnover leading to antidepressant and antiobsessive-compulsive effects.

1 2D Structure

CAS 61718-82-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-but-2-enedioic acid;2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine

2.1.2 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-

2.1.3 InChI Key

LFMYNZPAVPMEGP-SHNAKOFWSA-N

2.1.4 Canonical SMILES

COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F.C(=CC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

COCCCC/C(=N/OCCN)/C1=CC=C(C=C1)C(F)(F)F.C(=C\C(=O)O)\C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. (e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-(2-aminoethyl) Oxime Maleate

2. Fluvoxamin E

3. Mk-264

4. (e)-fluvoxamine Maleate

5. Fluvoxamine-[d4] Maleate

6. Du-23000 (maleate)

7. Akos015855869

8. Ks-1063

9. Lp00495

10. 1-pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1e)-, (2z)-2-butenedioate (1:1)

11. Q27262521

12. (e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-2-aminoethyl Oxime Maleate

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₅F₃N₂O₆
Molecular Weight	434.4 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Exact Mass	434.16647101 g/mol
Monoisotopic Mass	434.16647101 g/mol
Topological Polar Surface Area	131 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	446
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 FDA Pharmacological Classification

4.1.1 Pharmacological Classes

Serotonin Uptake Inhibitors [MoA]; Serotonin Reuptake Inhibitor [EPC]

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