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Dehydro tetrabenazine-d6

CAT: 1459-CS-O-49134Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-49134Size:1 Each
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Description
Dehydro tetrabenazine-d6 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with tetrabenazine. The product is supplied by Clearsynth under CAT No. CS-O-49134. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
2244238-17-1
Synonyms
Dehydro tetrabenazine-d6
Molecular Formula
C 19 H 19 D 6 NO 3
Molecular Weight
321.45
Additionnal Information
Dehydro tetrabenazine-d6 is supplied with detailed characterization data compliant with regulatory guideline. Dehydro tetrabenazine-d6 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 tetrabenazine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

1,11b-Dedihydrotetrabenazine-D6
CAS Number2244238-17-1
PubChem CID156596449
IUPAC Name3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
Molecular FormulaC19H25NO3
Molecular Weight321.4
XLogP3.4
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity473
SMILES
[2H]C([2H])([2H])OC1=C(C=C2C(=C1)CCN3C2=CC(=O)C(C3)CC(C)C)OC([2H])([2H])[2H]
InChI
InChI=1S/C19H25NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-10,12,14H,5-7,11H2,1-4H3/i3D3,4D3
InChIKey
WKGNBYVLCQOPIG-LIJFRPJRSA-N
Chemical Structure
2D Structure
2D structure of 1,11b-Dedihydrotetrabenazine-D6
CAS: 2244238-17-1
CID: 156596449
Formula: C19H25NO3
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass321.22110414
Monoisotopic Mass321.22110414
Topological Polar Surface Area38.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity473
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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