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R-Venlafaxine

CAT: 0926-FV28677-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FV28677-01Size:10 mg
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CAS Number
93413-46-8
Synonyms
1-[ (1R) -2- (Dimethylamino) -1- (4-methoxyphenyl) ethyl]cyclohexanol; (+) -Venlafaxine
MDL Number
MFCD07369692
Smiles
CN (C) C[C@@H] (C1=CC=C (C=C1) OC) C2 (CCCCC2) O
Molecular Formula
C17H27NO2
Molecular Weight
277.4 g/mol
Controlled
No

Chemical Information

Venlafaxine, (R)-
CAS Number93413-46-8
PubChem CID9795623
IUPAC Name1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
Molecular FormulaC17H27NO2
Molecular Weight277.4
XLogP2.9
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity279
SMILES
CN(C)C[C@@H](C1=CC=C(C=C1)OC)C2(CCCCC2)O
InChI
InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m0/s1
InChIKey
PNVNVHUZROJLTJ-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Venlafaxine, (R)-
CAS: 93413-46-8
CID: 9795623
Formula: C17H27NO2
MW: 277.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass277.204179104
Monoisotopic Mass277.204179104
Topological Polar Surface Area32.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-136860-01(R) -Venlafaxine
291908-01R-Venlafaxine
CS-O-08427Venlafaxine R-Isomer
CS-O-08430R- (-) -O-Desmethyl Venlafaxine
AR-V01276-01R- (-) -O-Desmethyl-Venlafaxine
TMIH-0004-01(R) -Desmethyl Venlafaxine-d6
TRC-D296505-50MGR-(-)-O-Desmethyl Venlafaxine
HY-B0602S(R) - (-) -O-Desmethyl Venlafaxine-d6
CS-O-02937R- (-) -O-Desmethyl Venlafaxine-d6
AR-V01278-01R- (-) -O-Desmethyl-Venlafaxine-d6

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