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N-Desmethyl-4-hydroxyatomoxetine-O-glucuronide

CAT: 1459-CS-O-50271Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-50271Size:1 Each
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Description
N-Desmethyl-4-hydroxyatomoxetine-O-glucuronide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Atomoxetine. The product is supplied by Clearsynth under CAT No. CS-O-50271. 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
540729-10-0
Synonyms
N-Desmethyl-4-hydroxyatomoxetine-O-glucuronide
Molecular Formula
C 22 H 27 NO 8
Molecular Weight
433.45
Additionnal Information
N-Desmethyl-4-hydroxyatomoxetine-O-glucuronide is supplied with detailed characterization data compliant with regulatory guideline. N-Desmethyl-4-hydroxyatomoxetine-O-glucuronide 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 Atomoxetine.
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

N-Desmethyl-4-hydroxyatomoxetine-o-glucuronide
CAS Number540729-10-0
PubChem CID156028033
IUPAC Name(2S,3S,4S,5R,6S)-6-[4-[(1R)-3-amino-1-phenylpropoxy]-3-methylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC22H27NO8
Molecular Weight433.5
XLogP-1
Topological Polar Surface Area152
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity572
SMILES
CC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O[C@H](CCN)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO8/c1-12-11-14(29-22-19(26)17(24)18(25)20(31-22)21(27)28)7-8-15(12)30-16(9-10-23)13-5-3-2-4-6-13/h2-8,11,16-20,22,24-26H,9-10,23H2,1H3,(H,27,28)/t16-,17+,18+,19-,20+,22-/m1/s1
InChIKey
OCYYTTFFKJKWEH-ZJICWGJPSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethyl-4-hydroxyatomoxetine-o-glucuronide
CAS: 540729-10-0
CID: 156028033
Formula: C22H27NO8
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP3-1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass433.17366682
Monoisotopic Mass433.17366682
Topological Polar Surface Area152 Ų
Heavy Atom Count31
Formal Charge0
Complexity572
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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