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ChemicalBook--->CAS DataBase List--->110429-36-2

110429-36-2

110429-36-2 Structure

110429-36-2 Structure
IdentificationMore
[Name]

N-Methylparoxetine
[CAS]

110429-36-2
[Synonyms]

(3S,4R)-3-(3,4-Methylene-dioxyphenoxy-methyl)-4-(4'-fluorophenyl)-N-methylpiperidine
3-S TRANS (-3-[1,3 BENZODIOXOL-5-YLOXY) METHYL-]4'(4-FLUORO PHENYL)N-METHYL PIPERIDINE
METHYL PAROXETINE
N-METHYLPAROXETINE
(3s,4r)-1-Methyl-3-[(3,4-(Methylenedioxy)Phenoxy)Methyl]-4-(4-Fluoropheny)-Piperidine
Trans-(-)-4-(4'-Fluoro Phenyl)-3-[[3,4-(Methylenedioxy)-Phenoxy]-Methyl]-N-Methylpiperidine
Methylparodextine
(-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)-1-methylpiperidine
(3S,4R)-N-Methylparoxetine
Paroxetine Related Compound
Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methyl-, (3S,4R)-
Paroxetine Related Compound F
(3S,4R)-3-[[(1,3-Benzodioxol-5-yl)oxy]methyl]-4α-(4-fluorophenyl)-1-methylpiperidine
[EINECS(EC#)]

1312995-182-4
[Molecular Formula]

C20H22FNO3
[MDL Number]

MFCD03788781
[Molecular Weight]

343.39
[MOL File]

110429-36-2.mol
Chemical PropertiesBack Directory
[Melting point ]

109.0 to 113.0 °C
[Boiling point ]

443.7±45.0 °C(Predicted)
[density ]

1.198±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

8.48±0.20(Predicted)
[color ]

Off-White to Pale Yellow
[Usage]

A drug impurity of Paroxetin, a selective serotonin reuptake inhibitor.
[BRN ]

7468178
[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
[SMILES]

N1(C)CC[C@@H](C2=CC=C(F)C=C2)[C@H](COC2=CC=C3OCOC3=C2)C1
[CAS DataBase Reference]

110429-36-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T,N
[Risk Statements ]

25-50/53
[Safety Statements ]

45-60-61
[RIDADR ]

UN 2811 6.1 / PGIII
[HS Code ]

2933.39.9200
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

A drug impurity of Paroxetin, a selective serotonin reuptake inhibitor.
[Definition]

ChEBI: 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 apoptosis inducer, a serotonin uptake inhibitor and an impurity. It is a member of benzodioxoles, an aromatic ether, a member of piperidines, a tertiary amino compound and a member of monofluorobenzenes. It is functionally related to a paroxetine.
[storage]

Store at -20°C
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