CAS 70931-18-9

4-[3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-1-piperazineethanol

Description:

4-[3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-1-piperazineethanol, with the CAS number 70931-18-9, is a chemical compound that belongs to the class of dibenzo[b,f]thiepin derivatives. This substance features a complex molecular structure characterized by a dibenzo-thiepin core, which contributes to its potential pharmacological properties. The presence of a piperazine ring and an ethanol moiety suggests that it may interact with neurotransmitter systems, possibly indicating its use in medicinal chemistry, particularly in the development of psychotropic medications. The fluorine atom in its structure may enhance its biological activity or alter its pharmacokinetic properties. As with many compounds in this class, it is essential to consider its solubility, stability, and reactivity, which can significantly influence its application in research or therapeutic contexts. Safety and handling precautions are also crucial, as with any chemical substance, to mitigate potential hazards associated with its use.

Formula: C₂₃H₂₉FN₂OS

InChI: InChI=1S/C23H29FN2OS/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3

InChI key: InChIKey=XDBMBHVYXPBOPL-UHFFFAOYSA-N

SMILES: C(C)(C)C=1C=C2C(CC=3C(SC2=CC1)=CC(F)=CC3)N4CCN(CCO)CC4

Synonyms:

• 1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-
• 1-Piperazineethanol, 4-(3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-
• 2-{4-[3-Fluoro-8-(Propan-2-Yl)-10,11-Dihydrodibenzo[B,F]Thiepin-10-Yl]Piperazin-1-Yl}Ethanol
• 4-[3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-1-piperazineethanol
• 7-Fluoro-11-(4-(2-hydroxyethyl)piperazino)-2-isopropyl-10,11-dihydrodibenzo(b,f)thiepin
• Dibenzo[b,f]thiepin, 1-piperazineethanol deriv.
• Isofloxythepin
• 4-(3-Fluoro-10,11-dihydro-8-isopropyldibenzo(b,f)thiepin-10-yl)piperazine-1-ethanol