Metabolite 6-oxo-methylphenidate
- Name
- 6-oxo-methylphenidate
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 247.294
Monoisotopic: 247.120843411 - Chemical Formula
- C14H17NO3
- InChI Key
- JZKMBVWUJRPNND-DGCLKSJQSA-N
- InChI
- InChI=1S/C14H17NO3/c1-18-14(17)13(10-6-3-2-4-7-10)11-8-5-9-12(16)15-11/h2-4,6-7,11,13H,5,8-9H2,1H3,(H,15,16)/t11-,13-/m1/s1
- IUPAC Name
- methyl (2R)-2-[(2R)-6-oxopiperidin-2-yl]-2-phenylacetate
- SMILES
- [H][C@@](C(=O)OC)(C1=CC=CC=C1)[C@@]1([H])CCCC(=O)N1
- Reactions
- Dexmethylphenidate 6-oxo-methylphenidate
- Serdexmethylphenidate Dexmethylphenidate
- Dexmethylphenidate Ritalinic acid
- Dexmethylphenidate 6-oxo-methylphenidate
- 6-oxo-methylphenidate oxo-Ritalinic acid
- Dexmethylphenidate p-hydroxy-methylphenidate
- p-hydroxy-methylphenidate p-hydroxy-ritalinic acid
- Dexmethylphenidate Ethylphenidate
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 150.8741 predictedDeepCCS 1.0 (2019) [M+H]+ 153.27022 predictedDeepCCS 1.0 (2019) [M+Na]+ 159.67659 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source logP 1.46 Chemaxon pKa (Strongest Acidic) 14.35 Chemaxon pKa (Strongest Basic) -1.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.4 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 66.75 m3·mol-1 Chemaxon Polarizability 26.04 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