Name | Toludesvenlafaxine Impurity 33 |
Synonyms | 2,2-dimethylpropanoic acid [4-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] ester |
CAS | 725714-88-5 |
InChI | InChI=1S/C21H33NO3/c1-20(2,3)19(23)25-17-11-9-16(10-12-17)18(15-22(4)5)21(24)13-7-6-8-14-21/h9-12,18,24H,6-8,13-15H2,1-5H3/t18-/m0/s1 |
InChIKey | FUXATIPTCIXOBF-SFHVURJKSA-N |
Canonical Smiles | CC(C)(C)C(=O)OC1=CC=C(C=C1)C(CN(C)C)C2(CCCCC2)O |
Isomers Smiles | CC(C)(C)C(=O)OC1=CC=C(C=C1)[C@H](CN(C)C)C2(CCCCC2)O |
Molecular Formula | C21H33NO3 |
Molar Mass | 347.5 |
PSA | 49.77000 |
logP | 3.97850 |