Metabolite M33 Umeclidinium
- Name
- M33 Umeclidinium
- Description
- Not Available
- Structure
Structure for M33 Umeclidinium
- Synonyms
- Not Available
- UNII
- 6AQ69DH8PC
- CAS number
- Not Available
- Weight
- Average: 444.594
Monoisotopic: 444.253320379 - Chemical Formula
- C29H34NO3
- InChI Key
- SJXRGGUZINKCRE-UHFFFAOYSA-O
- InChI
- InChI=1S/C29H33NO3/c31-27-13-11-24(12-14-27)23-33-22-21-30-18-15-28(16-19-30,17-20-30)29(32,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,32H,15-23H2/p+1
- IUPAC Name
- 4-(hydroxydiphenylmethyl)-1-{2-[(4-hydroxyphenyl)methoxy]ethyl}-1-azabicyclo[2.2.2]octan-1-ium
- SMILES
- OC1=CC=C(COCC[N+]23CCC(CC2)(CC3)C(O)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 0.38 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 49.69 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 143.73 m3·mol-1 Chemaxon Polarizability 51.66 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon