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N-Methyl paroxetine

CAT: 0926-FM65082-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FM65082-01Size:500 mg
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CAS Number
110429-36-2
Synonyms
Paroxetine related compound F; (-) -trans-4- (4-Fluorophenyl) -3- (3,4-methylenedioxyphenoxymethyl) -1-methylpiperidine; (3S,4R) -N-Methylpa roxetine
MDL Number
MFCD03788781
Smiles
CN1CC[C@H] ([C@@H] (C1) COC2=CC3=C (C=C2) OCO3) C4=CC=C (C=C4) F
Molecular Formula
C20H22FNO3
Molecular Weight
343.39 g/mol
Controlled
No

Chemical Information

N-Methylparoxetine

N-methylparoxetine is a member of the class of benzodioxoles that is paroxetine in which the piperidine hydrogen is substituted by a methyl group. It is a drug impurity of the antidepressant, paroxetine. It has a role as an impurity, a serotonin uptake inhibitor and an apoptosis inducer. It is a member of piperidines, an aromatic ether, a member of benzodioxoles, a tertiary amino compound and a member of monofluorobenzenes. It is functionally related to a paroxetine.

CAS Number110429-36-2
PubChem CID10947895
IUPAC Name(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methylpiperidine
Molecular FormulaC20H22FNO3
Molecular Weight343.4
XLogP4
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity429
SMILES
CN1CC[C@H]([C@@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3/t15-,18-/m0/s1
InChIKey
MOJZPKOBKCXNKG-YJBOKZPZSA-N
Chemical Structure
2D Structure
2D structure of N-Methylparoxetine
CAS: 110429-36-2
CID: 10947895
Formula: C20H22FNO3
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass343.15837173
Monoisotopic Mass343.15837173
Topological Polar Surface Area30.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count2
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
TRC-M325870-10MGN-Methyl Paroxetine
AR-P30415-01N-Methyl Paroxetine HCl
TRC-P205780-2.5MGrac cis-Paroxetine N-Methyl
sc-483538Rac-N-Methyl paroxetine-d4
AR-P01245-01(3R, 4R) -N-Methyl Paroxetine?
RM-P182419-01Paroxetine Dimer N-Methyl Analog
AR-P01244-01(3S, 4S) -N-Methyl Paroxetine?
AR-P01246-01((3R, 4S) -N-Methyl Paroxetinej
RM-P182415-01Paroxetine Impurity - (3R,4R) -N-Methyl Paroxetine discontinued see RM-P182413
RM-P182417-01Paroxetine Impurity - (3S,4R) -N-Methyl Paroxol

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