Metabolite M14 Umeclidinium
- Name
- M14 Umeclidinium
- Description
- Not Available
- Structure
Structure for M14 Umeclidinium
- Synonyms
- Not Available
- UNII
- NTT66YHP9Y
- CAS number
- Not Available
- Weight
- Average: 338.47
Monoisotopic: 338.211455566 - Chemical Formula
- C22H28NO2
- InChI Key
- PSBRYSHOOSHIOJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H28NO2/c24-18-17-23-14-11-21(12-15-23,13-16-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,24-25H,11-18H2/q+1
- IUPAC Name
- 4-(hydroxydiphenylmethyl)-1-(2-hydroxyethyl)-1-azabicyclo[2.2.2]octan-1-ium
- SMILES
- OCC[N+]12CCC(CC1)(CC2)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 9692095
- BindingDB
- 50267572
- ChEMBL
- CHEMBL1186059
- ZINC
- ZINC000040834961
- Predicted Properties
Property Value Source logP -1.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 40.46 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 112.39 m3·mol-1 Chemaxon Polarizability 38.89 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon