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Fluvoxamine-d4

CAT: 1299-RM-F122238-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F122238-02Size:25 mg
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CAS Number
1432075-73-4
Synonyms
5-methoxy-1- (4- (trifluoromethyl) phenyl) pentan-1-one O- (2-aminoethyl-1,1,2,2-d4) oxime
Molecular Formula
C15H17D4F3N2O2
Molecular Weight
322.36
Target Alternative Name
Fluvoxamine
Product Name Synonym
5-methoxy-1- (4- (trifluoromethyl) phenyl) pentan-1-one O- (2-aminoethyl-1,1,2,2-d4) oxime

Chemical Information

Fluvoxamine-d4
CAS Number1432075-73-4
PubChem CID177836753
IUPAC Name1,1,2,2-tetradeuterio-2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Molecular FormulaC15H21F3N2O2
Molecular Weight322.36
XLogP2.6
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity327
SMILES
[2H]C([2H])(C([2H])([2H])ON=C(CCCCOC)C1=CC=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/i9D2,11D2
InChIKey
CJOFXWAVKWHTFT-ZXVMGSATSA-N
Chemical Structure
2D Structure
2D structure of Fluvoxamine-d4
CAS: 1432075-73-4
CID: 177836753
Formula: C15H21F3N2O2
MW: 322.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.36
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass322.18061939
Monoisotopic Mass322.18061939
Topological Polar Surface Area56.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity327
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-F01913-01Fluvoxamine-d4
CS-O-06634Fluvoxamine-d4 maleate
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TRC-F603503-10MG(E)-Fluvoxamine-d4 Maleate
447987(E) -Fluvoxamine-d4 Maleate
CS-O-61571N-Nitroso Fluvoxamine EP Impurity C-d4
CS-O-61570N-Nitroso Fluvoxamine EP Impurity F-d4
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