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N-methyl Paroxetine

CAT: 0931-T35920-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T35920-01Size:500 mg
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CAS Number
110429-36-2
Target
Others, Autophagy, Apoptosis, p38 MAPK
Related Pathways
MAPK, Apoptosis, Autophagy, Others
Bioactivity
N-methyl Paroxetine is a derivative of the selective serotonin reuptake inhibitor (SSRI) antidepressant paroxetine that inhibits [3H]paroxetine binding to rat cortical membranes (Ki = 4.3 nM) . It inhibits serotonin uptake in rat brain synaptosomes with an IC50 value of 22 nM. N-methyl Paroxetine has been used as a precursor in the synthesis of paroxetine and is a potential impurity in commercial preparations of paroxetine.
Smiles
CN1CCC(C(COc2ccc3OCOc3c2)C1)c1ccc(F)cc1
Molecular Formula
C20H22FNO3
Molecular Weight
343.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T8708-01Paroxetine
T22395-01Paroxetine mesylate
T20531Paroxetine maleate
T1636-01Paroxetine hydrochloride
T37308-01Desmethylene Paroxetine hydrochloride
TMIJ-0118-01Paroxetine-d4 HCl
T1636L-01Paroxetine hydrochloride hemihydrate
TMID-0042Rac-Paroxetine-d4 Hydrochloride
TN9603-01N-Methyl-N-propylamine
T87025-01N-Methyl lactam

Alternative Products

CatalogName
FM65082-01N-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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