Fluvoxamine maleate

C₁₉H₂₅F₃N₂O₆CAS 61718-82-9434.41 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Carboxylic acid Ether Oxime Primary amine

Properties

Molecular formula: C₁₉H₂₅F₃N₂O₆
Molar mass: 434.41 g/mol
Exact mass: 434.1665 Da
Melting point: 120–121.5 °C
logP: 2.91Crippen estimate
Polar surface area: 131.4 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 11

Hazards

Danger

H302+H332 Harmful if swallowed or if inhaled20.1% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin12.2% of notifiers
H317 May cause an allergic skin reaction12.2% of notifiers
H318 Causes serious eye damage66.9% of notifiers
H332 Harmful if inhaled66.2% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled12.2% of notifiers
H335 May cause respiratory irritation58.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects56.8% of notifiers

Aggregated from 139 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P333+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, P501

Identifiers

CAS number

61718-82-9

SMILES

COCCCC/C(=NOCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=CC(=O)O

InChIKey

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-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all

1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-, (2Z)-2-butenedioate (1:1)
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (E)-, (Z)-2-butenedioate (1:1)
Faverin 50
Luvox
DU 23000
Avoxin
Avoksin
Depromel
Fevarin
Dumirox
MK 264
Floxyfral
Maveral
Faverin
NSC 309469
Faverine

Work with Fluvoxamine maleate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fumaric acid110-17-8Free acid, defined stereoisomer Maleic acid110-16-7Free acid Poly(maleic acid)26099-09-2Free acid Fluvoxamine54739-18-3Free base Iron(II) fumarate141-01-5Salt, defined stereoisomer Enalapril maleate76095-16-4Salt, defined stereoisomer Pyrilamine maleate59-33-6Salt Chlorpheniramine maleate113-92-8Salt Timolol maleate26921-17-5Salt, defined stereoisomer Sodium fumarate5873-57-4Salt, defined stereoisomer Clemastine fumarate14976-57-9Salt, defined stereoisomer Calcium fumarate19855-56-2Salt, defined stereoisomer

Similar compounds

5-Methoxy-4'-(trifluoromethyl)valerophenone61718-80-752 % similar (2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid16642-92-539 % similar 3-[4-(Trifluoromethyl)phenyl]prop-2-enoic acid2062-26-239 % similar Ethyl 4-trifluoromethylbenzoate583-02-834 % similar 2-Fluoro-5-(trifluoromethyl)cinnamic acid247113-91-333 % similar Methyl 4-(trifluoromethyl)benzoate2967-66-033 % similar 4-(Trifluoromethyl)benzoic acid455-24-333 % similar 3-(Trifluoromethyl)cinnamic acid779-89-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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