chempirical

Fluvoxamine maleate

C19H25F3N2O6CAS 61718-82-9434.41 g/mol

Open in Covalent MOL file
ONOH2NFFFOHOOOH
AlkeneAlkyl halideCarboxylic acidEtherOximePrimary 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 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
11

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-

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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

Similar compounds

Fluvoxamine54739-18-379 % similar 5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone61718-80-752 % similar (2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid16642-92-539 % similar 3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid2062-26-239 % similar 1-Propanamine, 3,3′-[oxybis(2,1-ethanediyloxy)]bis-, (2Z)-2-butenedioate (1:2)1629579-82-334 % similar Ethyl 4-trifluoromethylbenzoate583-02-834 % 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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