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Fluoxetine-d5 Oxalate

CAT: 1459-CS-O-06630Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-06630Size:1 Each
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Description
Fluoxetine-d5 Oxalate is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Fluoxetine. The product is supplied by Clearsynth under CAT No. CS-O-06630. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
"Labeled Fluoxetine, intended for use as an internal standard for the quantification of Fluoxetine by GC- or LC-mass spectrometry."
CAS Number
1219804-82-6
Synonyms
Fluoxetine-d5 Oxalate
Molecular Formula
C 19 H 15 D 5 F 3 NO 5
Molecular Weight
404.39
Additionnal Information
Fluoxetine-d5 Oxalate is supplied with detailed characterization data compliant with regulatory guideline. Fluoxetine-d5 Oxalate can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Fluoxetine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"Labeled Fluoxetine, intended for use as an internal standard for the quantification of Fluoxetine by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

(+/-)-Fluoxetine-d5 Oxalate (phenyl-d5)
CAS Number1219804-82-6
PubChem CID119025562
IUPAC NameN-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;oxalic acid
Molecular FormulaC19H20F3NO5
Molecular Weight404.4
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity379
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(CCNC)OC2=CC=C(C=C2)C(F)(F)F)[2H])[2H].C(=O)(C(=O)O)O
InChI
InChI=1S/C17H18F3NO.C2H2O4/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;3-1(4)2(5)6/h2-10,16,21H,11-12H2,1H3;(H,3,4)(H,5,6)/i2D,3D,4D,5D,6D;
InChIKey
CKOSCBUBUNGPOY-CERKJNTMSA-N
Chemical Structure
2D Structure
2D structure of (+/-)-Fluoxetine-d5 Oxalate (phenyl-d5)
CAS: 1219804-82-6
CID: 119025562
Formula: C19H20F3NO5
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass404.16074095
Monoisotopic Mass404.16074095
Topological Polar Surface Area95.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity379
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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