Chemical Component Summary

Name2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
Identifiers1-(3-oxidanylazetidin-1-yl)-2-[6-oxidanyl-2-(phenylmethyl)-2-adamantyl]ethanone
FormulaC22 H29 N O3
Molecular Weight355.471
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O
InChIInChI=1S/C22H29NO3/c24-19-12-23(13-19)20(25)11-22(10-14-4-2-1-3-5-14)17-6-15-7-18(22)9-16(8-17)21(15)26/h1-5,15-19,21,24,26H,6-13H2/t15-,16+,17-,18+,21-,22-/m0/s1
InChIKeyTUDXSLUOQMCPRD-YORQRNKESA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count59
Aromatic Bond Count6