CAS 253450-09-8

6-({2-[4-(4-fluorobenzyl)piperidin-1-yl]ethyl}sulfinyl)-1,3-benzoxazol-2(3H)-one

Description:

The chemical substance known as 6-({2-[4-(4-fluorobenzyl)piperidin-1-yl]ethyl}sulfinyl)-1,3-benzoxazol-2(3H)-one, with the CAS number 253450-09-8, is a complex organic compound characterized by its unique structural features. It contains a benzoxazole core, which is a bicyclic structure that includes both a benzene ring and an oxazole ring, contributing to its potential biological activity. The presence of a sulfinyl group indicates that it contains a sulfur atom bonded to an oxygen atom, which can influence its reactivity and solubility. Additionally, the compound features a piperidine ring substituted with a 4-fluorobenzyl group, enhancing its lipophilicity and possibly its ability to cross biological membranes. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. Its specific interactions and effects would depend on its molecular conformation and the presence of functional groups that can engage in various chemical interactions.

Formula: C₂₁H₂₃FN₂O₃S

InChI: InChI=1/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)

InChI key: InChIKey=FCBQJNCAKZSIAH-UHFFFAOYSA-N

SMILES: S(CCN1CCC(CC2=CC=C(F)C=C2)CC1)(=O)C=3C=C4C(=CC3)NC(=O)O4

Synonyms:

• 2(3H)-benzoxazolone, 6-[[2-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]ethyl]sulfinyl]-
• 6-[[2-[4-[(4-Fluorophenyl)methyl]-1-piperidinyl]ethyl]sulfinyl]-2(3H)-benzoxazolone
• Besonprodil
• Ci 1041
• Co 200461
• Pd 0196860
• Besonprodil (USAN)
• CHEMBL219631
• 6-({2-[4-(4-FLUOROBENZYL)PIPERIDIN-1-YL]ETHYL}SULFINYL)-1,3-BENZOXAZOL-2(3H)-ONE
• UNII-5K3N2D15WW

Besonprodil

CAS: 253450-09-8

Besonprodil is a drug that acts as an NMDA antagonist and is selective for the NR2B subunit.

Formula: C₂₁H₂₃FN₂O₃S

Color and Shape: Solid

Molecular weight: 402.48

Ref: TM-T30428