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Home Other Building Blocks D,L N,O-Didesmethylvenlafaxine

D,L N,O-Didesmethylvenlafaxine

CAS No.:
135308-74-6
Catalog Number:
AG009E34
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009E34
Chemical Name:
D,L N,O-Didesmethylvenlafaxine
CAS Number:
135308-74-6
MDL Number:
MFCD04039515
IUPAC Name:
4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol
InChI:
InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3
InChI Key:
MMSWXJSQCAEDLK-UHFFFAOYSA-N
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Influence of CYP2D6 genotype on the disposition of the enantiomers of venlafaxine and its major metabolites in postmortem femoral blood. Forensic science international 20120110
Stereoselective determination of venlafaxine and its three demethylated metabolites in human plasma and whole blood by liquid chromatography with electrospray tandem mass spectrometric detection and solid phase extraction. Journal of pharmaceutical and biomedical analysis 20101102
Therapeutic drug monitoring of racemic venlafaxine and its main metabolites in an everyday clinical setting. Therapeutic drug monitoring 20020801
Nonaqueous capillary electrophoresis-mass spectrometry for separation of venlafaxine and its phase I metabolites. Electrophoresis 20010201
Properties