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CAS 959624-50-1

:

Benzeneacetic acid, α-(acetyloxy)-, (αR)-, compd. with 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol (1:1)

Description:
Benzeneacetic acid, α-(acetyloxy)-, (αR)-, compd. with 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol (1:1), identified by CAS number 959624-50-1, is a complex organic compound characterized by its structural components that include a benzene ring, acetic acid moiety, and a hydroxybenzenemethanol derivative. This compound exhibits properties typical of both aromatic and aliphatic systems, which may contribute to its potential biological activity. The presence of the acetyloxy group suggests it may participate in esterification reactions, while the hydroxy group can engage in hydrogen bonding, influencing solubility and reactivity. The compound's stereochemistry, indicated by the (αR) designation, implies specific spatial arrangements that could affect its interaction with biological targets. Additionally, the presence of the bis(1-methylethyl)amino group suggests potential for significant pharmacological activity, possibly enhancing its lipophilicity and membrane permeability. Overall, this compound's unique structure may confer specific therapeutic properties, warranting further investigation in medicinal chemistry contexts.
Formula:C22H31NO2·C10H10O4
InChI:InChI=1S/C22H31NO2.C10H10O4/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25;1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3;2-6,9H,1H3,(H,12,13)/t20-;9-/m11/s1
InChI key:InChIKey=RWBQCFOSBJYVQB-NEJKBCOFSA-N
SMILES:[C@H](CCN(C(C)C)C(C)C)(C1=CC(CO)=CC=C1O)C2=CC=CC=C2.[C@H](OC(C)=O)(C(O)=O)C1=CC=CC=C1
Synonyms:
  • Desfesoterodine O-acetyl-(R)-mandelate
  • Benzeneacetic acid, α-(acetyloxy)-, (αR)-, compd. with 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol (1:1)
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