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(E)-Fluvoxamine-d4 Maleate

CAT: 0572-TRC-F603503-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F603503-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1432075-74-5
Synonyms
5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone (E)-O-(2-aminoethyl-1,1,2,2-d4)oxime (2Z)-2-butenedioate; 2-[[[(1E)-5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethanamine-1,1,2,2-d4 maleate; (E)-Fluvoxamine-d4 maleate; Fluvoxamine-D4 (aminoethyl-D4) maleate
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(N)C([2H])([2H])O\N=C(/CCCCOC)\c1ccc(cc1)C(F)(F)F.OC(=O)\C=C/C(=O)O
Molecular Formula
C15 D4 H17 F3 N2 O2 . C4 H4 O4
Molecular Weight
438.4315
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-/i9D2,11D2;
Additionnal Information
IUPAC name: (Z)-but-2-enedioic acid;1,1,2,2-tetradeuterio-2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(E)-Fluvoxamine-d4 Maleate
CAS Number1432075-74-5
PubChem CID76973115
IUPAC Name(Z)-but-2-enedioic acid;1,1,2,2-tetradeuterio-2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Molecular FormulaC19H25F3N2O6
Molecular Weight438.4
Topological Polar Surface Area131
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity446
SMILES
[2H]C([2H])(C([2H])([2H])O/N=C(\CCCCOC)/C1=CC=C(C=C1)C(F)(F)F)N.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-/i9D2,11D2;
InChIKey
LFMYNZPAVPMEGP-YNGKOISLSA-N
Chemical Structure
2D Structure
2D structure of (E)-Fluvoxamine-d4 Maleate
CAS: 1432075-74-5
CID: 76973115
Formula: C19H25F3N2O6
MW: 438.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass438.19157799
Monoisotopic Mass438.19157799
Topological Polar Surface Area131 Ų
Heavy Atom Count30
Formal Charge0
Complexity446
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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