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Venlafaxine Impurity 49

CAT: 1299-RM-V140949-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V140949-01Size:10 mg
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CAS Number
1643948-40-6
Synonyms
N- (2- (1-hydroxycyclohexyl) -2- (4-methoxyphenyl) ethyl) -N-methylformamide
Molecular Formula
C17H25NO3
Molecular Weight
291.39
Target Alternative Name
Venlafaxine
Product Name Synonym
N- (2- (1-hydroxycyclohexyl) -2- (4-methoxyphenyl) ethyl) -N-methylformamide

Chemical Information

Venlafaxine Impurity 49
CAS Number1643948-40-6
PubChem CID158322552
IUPAC NameN-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-N-methylformamide
Molecular FormulaC17H25NO3
Molecular Weight291.4
XLogP2.4
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity320
SMILES
CN(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)C=O
InChI
InChI=1S/C17H25NO3/c1-18(13-19)12-16(17(20)10-4-3-5-11-17)14-6-8-15(21-2)9-7-14/h6-9,13,16,20H,3-5,10-12H2,1-2H3
InChIKey
GPAHYCQMSFHTPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Venlafaxine Impurity 49
CAS: 1643948-40-6
CID: 158322552
Formula: C17H25NO3
MW: 291.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass291.18344366
Monoisotopic Mass291.18344366
Topological Polar Surface Area49.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity320
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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