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Trazodone-d6 Hydrochloride

CAT: 1459-CS-O-07033Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-07033Size:1 Each
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Description
Trazodone-d6 Hydrochloride is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Trazodone. The product is supplied by Clearsynth under CAT No. CS-O-07033. 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 Trazodone, intended for use as an internal standard for the quantification of Trazodone by GC- or LC-mass spectrometry."
CAS Number
1181578-71-1
Synonyms
Trazodone-d6 Hydrochloride
Molecular Formula
C 19 H 17 D 6 Cl 2 N 5 O
Molecular Weight
414.36
Additionnal Information
Trazodone-d6 Hydrochloride is supplied with detailed characterization data compliant with regulatory guideline. Trazodone-d6 Hydrochloride 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 Trazodone.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
"Labeled Trazodone, intended for use as an internal standard for the quantification of Trazodone by GC- or LC-mass spectrometry."
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Trazodone-d6 hydrochloride
CAS Number1181578-71-1
PubChem CID45040566
IUPAC Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,2,2,3,3-hexadeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
Molecular FormulaC19H23Cl2N5O
Molecular Weight414.4
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity611
SMILES
[2H]C([2H])(C([2H])([2H])N1CCN(CC1)C2=CC(=CC=C2)Cl)C([2H])([2H])N3C(=O)N4C=CC=CC4=N3.Cl
InChI
InChI=1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H/i4D2,8D2,10D2;
InChIKey
OHHDIOKRWWOXMT-BHIQTGFXSA-N
Chemical Structure
2D Structure
2D structure of Trazodone-d6 hydrochloride
CAS: 1181578-71-1
CID: 45040566
Formula: C19H23Cl2N5O
MW: 414.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass413.1656262
Monoisotopic Mass413.1656262
Topological Polar Surface Area42.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity611
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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