Fluvoxaminemaleate

1 2D Structure

Fluvoxaminemaleate

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]

CAS 61718-82-9 manufacturers and suppliers on PharmaCompass

Fluvoxaminemaleate

Chemistry

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