CAS 86495-14-9

rel-(2R,6R,11R)-3-[2-(4-Fluorophenyl)ethyl]-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol

Description:

The chemical substance known as rel-(2R,6R,11R)-3-[2-(4-Fluorophenyl)ethyl]-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol, with the CAS number 86495-14-9, is a complex organic compound characterized by its unique bicyclic structure that incorporates a benzazocin framework. This compound features multiple stereocenters, contributing to its chiral nature, which can influence its biological activity and interactions. The presence of a fluorophenyl group enhances its lipophilicity, potentially affecting its pharmacokinetic properties. Additionally, the hexahydro and methano groups suggest that it may exhibit significant conformational flexibility. The hydroxyl (-OH) group indicates potential for hydrogen bonding, which can play a crucial role in its solubility and reactivity. Overall, this compound may possess interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development, particularly in the context of its potential therapeutic applications.

Formula: C₂₂H₂₆FNO

InChI: InChI=1/C22H26FNO/c1-15-21-13-17-5-8-19(25)14-20(17)22(15,2)10-12-24(21)11-9-16-3-6-18(23)7-4-16/h3-8,14-15,21,25H,9-13H2,1-2H3/t15-,21+,22+/s2

InChI key: InChIKey=PUPFATUGTIQBQA-SCNUQJBMNA-N

SMILES: C[C@@]12C=3C(C[C@@]([C@H]1C)(N(CCC4=CC=C(F)C=C4)CC2)[H])=CC=C(O)C3

Synonyms:

• 2,6-Methano-3-benzazocin-8-ol, 3-[2-(4-fluorophenyl)ethyl]-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2R,6R,11R)-rel-
• 2,6-Methano-3-benzazocin-8-ol, 3-[2-(4-fluorophenyl)ethyl]-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2α,6α,11R*)-(±)-
• rel-(2R,6R,11R)-3-[2-(4-Fluorophenyl)ethyl]-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
• 2,6-Methano-3-benzazocin-8-ol, 3-[2-(4-fluorophenyl)ethyl]-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2α,6α,11R*)-
• (±)-5,9α-Dimethyl-2-[2-(4-fluorophenyl)ethyl]-2′-hydroxy-6,7-benzomorphan