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9-Desmethyl Tetrabenazine

CAT: 1459-CS-O-15369Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-15369Size:1 Each
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Description
9-Desmethyl Tetrabenazine is listed under Metabolite 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-15369. 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
149183-89-1
Synonyms
9-Desmethyl Tetrabenazine
Molecular Formula
C 18 H 25 NO 3
Molecular Weight
303.4
Additionnal Information
9-Desmethyl Tetrabenazine is supplied with detailed characterization data compliant with regulatory guideline. 9-Desmethyl Tetrabenazine 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

9-Hydroxy-3-isobutyl-10-methoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-one
CAS Number149183-89-1
PubChem CID59272833
IUPAC Name9-hydroxy-10-methoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Molecular FormulaC18H25NO3
Molecular Weight303.4
XLogP2.6
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity411
SMILES
CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)O
InChI
InChI=1S/C18H25NO3/c1-11(2)6-13-10-19-5-4-12-7-17(21)18(22-3)8-14(12)15(19)9-16(13)20/h7-8,11,13,15,21H,4-6,9-10H2,1-3H3
InChIKey
HFJUFZQVOVHCMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Hydroxy-3-isobutyl-10-methoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-one
CAS: 149183-89-1
CID: 59272833
Formula: C18H25NO3
MW: 303.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass303.18344366
Monoisotopic Mass303.18344366
Topological Polar Surface Area49.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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