CAS 1246812-12-3

(αR)-N-(6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl)-α-hydroxybenzeneacetamide

Description:

The chemical substance known as "(αR)-N-(6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl)-α-hydroxybenzeneacetamide" is characterized by its complex molecular structure, which includes a dibenzodiazepine core fused with a hydroxybenzeneacetamide moiety. This compound features a stereocenter, indicated by the (αR) designation, suggesting specific spatial arrangements of its atoms that can influence its biological activity and interactions. The presence of a keto group and a hydroxyl group contributes to its potential reactivity and solubility properties. Additionally, the dibenzodiazepine framework is often associated with various pharmacological activities, including anxiolytic and antidepressant effects. The compound's unique structure may allow it to interact with specific biological targets, making it of interest in medicinal chemistry. Its CAS number, 1246812-12-3, provides a unique identifier for regulatory and research purposes, facilitating its study in various chemical and pharmaceutical contexts. Overall, this substance exemplifies the intricate relationship between molecular structure and biological function in drug design.

Formula: C₂₃H₂₀N₂O₃

InChI: InChI=1S/C23H20N2O3/c1-25-19-14-8-7-12-17(19)16-11-5-6-13-18(16)20(23(25)28)24-22(27)21(26)15-9-3-2-4-10-15/h2-14,20-21,26H,1H3,(H,24,27)/t20?,21-/m1/s1

InChI key: InChIKey=CXWBCMJIHSHUEV-BPGUCPLFSA-N

SMILES: N(C([C@H](O)C1=CC=CC=C1)=O)C2C=3C(C=4C(N(C)C2=O)=CC=CC4)=CC=CC3

Synonyms:

• Benzeneacetamide, N-(6,7-dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl)-α-hydroxy-, (αR)-
• (αR)-N-(6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl)-α-hydroxybenzeneacetamide
• (2R)-2-Hydroxy-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)-2-phenylacetamide
• N-(6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl)-(αR)-hydroxy-benzeneacetamide