CAS 176894-09-0

rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone

Description:

Rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone, with CAS number 176894-09-0, is a synthetic organic compound characterized by its complex molecular structure, which includes a piperidine ring and a benzodioxole moiety. This compound exhibits properties typical of piperidine derivatives, such as potential psychoactive effects, and is often studied for its pharmacological applications. The presence of fluorine atoms in its structure may enhance lipophilicity and influence its biological activity. The stereochemistry indicated by the (3R,4S) configuration suggests specific spatial arrangements that can significantly affect the compound's interaction with biological targets. As a result, this compound may be of interest in medicinal chemistry, particularly in the development of new therapeutic agents. Its solubility, stability, and reactivity would depend on the functional groups present and the overall molecular architecture, making it a candidate for further research in drug design and development.

Formula: C₂₇H₂₅F₂NO₄

InChI: InChI=1/C27H25F2NO4/c28-21-5-1-18(2-6-21)24-11-12-30(15-25(31)19-3-7-22(29)8-4-19)14-20(24)16-32-23-9-10-26-27(13-23)34-17-33-26/h1-10,13,20,24H,11-12,14-17H2/t20-,24-/s2

InChI key: InChIKey=FAHGZANUNVVDFL-YCYISBKGNA-N

SMILES: C(OC=1C=C2C(=CC1)OCO2)[C@H]3[C@@H](CCN(CC(=O)C4=CC=C(F)C=C4)C3)C5=CC=C(F)C=C5

Synonyms:

• (±)-4'-Fluoro-2-[trans-4-(p-fluorophenyl)-3-[[3,4-(methylenedioxy)phenoxy]methyl]piperidino]acetophenone
• 176894-09-0
• Ethanone, 2-[(3R,4S)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)-, rel-
• Ethanone, 2-[3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)-, trans-
• Omiloxetine
• Omiloxetine [INN]
• rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone

Omiloxetine

CAS: 176894-09-0

Omiloxetine, an SSRI developed by Ferrer Internacional, was shelved in 2005 after preclinical trials.

Formula: C₂₇H₂₅F₂NO₄

Color and Shape: Solid

Molecular weight: 465.49

Ref: TM-T70217