Metabolite 3-Hydroxypilocarpine
- Name
- 3-Hydroxypilocarpine
- Description
- Not Available
- Structure
Structure for 3-Hydroxypilocarpine
- Synonyms
- (3R)-3-Hydroxypilocarpine
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 224.26
Monoisotopic: 224.116092383 - Chemical Formula
- C11H16N2O3
- InChI Key
- CDYVNDYSMAKHRR-GZMMTYOYSA-N
- InChI
- InChI=1S/C11H16N2O3/c1-3-11(15)8(6-16-10(11)14)4-9-5-12-7-13(9)2/h5,7-8,15H,3-4,6H2,1-2H3/t8-,11+/m0/s1
- IUPAC Name
- (3R,4S)-3-ethyl-3-hydroxy-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one
- SMILES
- CC[C@@]1(O)[C@@H](CC2=CN=CN2C)COC1=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 77498612
- Predicted Properties
Property Value Source logP 0.088 Chemaxon pKa (Strongest Acidic) 12.1 Chemaxon pKa (Strongest Basic) 6.37 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.35 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 57.99 m3·mol-1 Chemaxon Polarizability 23.03 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon