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O-Desmethyl Venlafaxine N-Dimer

CAT: 1459-CS-T-88612Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-88612Size:1 Each
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Description
O-Desmethyl Venlafaxine N-Dimer is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Desvenlafaxine. The product is supplied by Clearsynth under CAT No. CS-T-88612. 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
1187545-61-4
Synonyms
O-Desmethyl Venlafaxine N-Dimer
Molecular Formula
C 32 H 48 N 2 O 4
Molecular Weight
524.7
Additionnal Information
O-Desmethyl Venlafaxine N-Dimer is supplied with detailed characterization data compliant with regulatory guideline. O-Desmethyl Venlafaxine N-Dimer 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 Desvenlafaxine.
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

O-Desmethyl Venlafaxine N-Dimer
CAS Number1187545-61-4
PubChem CID44229988
IUPAC Name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]-2-[[[2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-methylamino]methyl]phenol
Molecular FormulaC32H48N2O4
Molecular Weight524.7
XLogP4.8
Topological Polar Surface Area87.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity698
SMILES
CN(C)CC(C1=CC(=C(C=C1)O)CN(C)CC(C2=CC=C(C=C2)O)C3(CCCCC3)O)C4(CCCCC4)O
InChI
InChI=1S/C32H48N2O4/c1-33(2)22-28(31(37)16-6-4-7-17-31)25-12-15-30(36)26(20-25)21-34(3)23-29(24-10-13-27(35)14-11-24)32(38)18-8-5-9-19-32/h10-15,20,28-29,35-38H,4-9,16-19,21-23H2,1-3H3
InChIKey
NHEAWHUHZWCISZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-Desmethyl Venlafaxine N-Dimer
CAS: 1187545-61-4
CID: 44229988
Formula: C32H48N2O4
MW: 524.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.7
XLogP34.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass524.36140802
Monoisotopic Mass524.36140802
Topological Polar Surface Area87.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity698
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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