ChemicalBook--->CAS DataBase List--->105813-14-7

105813-14-7

105813-14-7 Structure

105813-14-7 Structure
IdentificationBack Directory
[Name]

trans N-Benzyl Paroxetine
[CAS]

105813-14-7
[Synonyms]

(-)-N-Benzylparoxetine
trans N-Benzyl Paroxetine
(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-1-benzyl-4-(4-fluorophenyl)piperidine
(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-(phenylmethyl)-piperidine
[EINECS(EC#)]

929-011-7
[Molecular Formula]

C26H26FNO3
[MDL Number]

MFCD18252333
[MOL File]

105813-14-7.mol
[Molecular Weight]

419.488
Chemical PropertiesBack Directory
[Appearance]

Yellow-Thick Oil
[storage temp. ]

Refrigerator
[solubility ]

Ethyl Acetate (Slightly), Methanol (Slightly)
[BRN ]

9809201
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C26H26FNO3/c27-22-8-6-20(7-9-22)24-12-13-28(15-19-4-2-1-3-5-19)16-21(24)17-29-23-10-11-25-26(14-23)31-18-30-25/h1-11,14,21,24H,12-13,15-18H2/t21-,24-/m0/s1
[InChIKey]

AGTKMLMRHVWXHN-URXFXBBRSA-N
[SMILES]

c1ccccc1.Fc2ccc(cc2)[C@@H]3CCN(C[C@H]3COc4ccc5OCOc5c4)Cc6ccccc6
Hazard InformationBack Directory
[Chemical Properties]

Yellow-Thick Oil
[Uses]

Paroxetine intermediate
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