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Venlafaxine Impurity 25

CAT: 1299-RM-V120625-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V120625-01Size:10 mg
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CAS Number
1346601-14-6
Synonyms
1- (2- ((4-methoxyphenethyl) (methyl) amino) -1- (4-methoxyphenyl) ethyl) cyclohexanol
Molecular Formula
C25H35NO3
Molecular Weight
397.55
Target Alternative Name
Venlafaxine
Product Name Synonym
1- (2- ((4-methoxyphenethyl) (methyl) amino) -1- (4-methoxyphenyl) ethyl) cyclohexanol

Chemical Information

rac N-Desmethyl-N-(4-methoxyphenethyl) Venlafaxine
CAS Number1346601-14-6
PubChem CID71315780
IUPAC Name1-[1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]ethyl]cyclohexan-1-ol
Molecular FormulaC25H35NO3
Molecular Weight397.5
XLogP4.9
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity449
SMILES
CN(CCC1=CC=C(C=C1)OC)CC(C2=CC=C(C=C2)OC)C3(CCCCC3)O
InChI
InChI=1S/C25H35NO3/c1-26(18-15-20-7-11-22(28-2)12-8-20)19-24(25(27)16-5-4-6-17-25)21-9-13-23(29-3)14-10-21/h7-14,24,27H,4-6,15-19H2,1-3H3
InChIKey
CJLLEDVZZJHJST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of rac N-Desmethyl-N-(4-methoxyphenethyl) Venlafaxine
CAS: 1346601-14-6
CID: 71315780
Formula: C25H35NO3
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass397.26169398
Monoisotopic Mass397.26169398
Topological Polar Surface Area41.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity449
Isotope Atom Count0
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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