Metabolite p-hydroxy-ritalinic acid
- Name
- p-hydroxy-ritalinic acid
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 235.283
Monoisotopic: 235.120843411 - Chemical Formula
- C13H17NO3
- InChI Key
- RONUHFNRYTWMCI-VXGBXAGGSA-N
- InChI
- InChI=1S/C13H17NO3/c15-10-6-4-9(5-7-10)12(13(16)17)11-3-1-2-8-14-11/h4-7,11-12,14-15H,1-3,8H2,(H,16,17)/t11-,12-/m1/s1
- IUPAC Name
- (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetic acid
- SMILES
- [H][C@@](C(O)=O)(C1=CC=C(O)C=C1)[C@@]1([H])CCCCN1
- Reactions
- 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
- Serdexmethylphenidate Dexmethylphenidate
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 164.2831153 predictedDarkChem Lite v0.1.0 [M-H]- 153.59972 predictedDeepCCS 1.0 (2019) [M+H]+ 164.6277153 predictedDarkChem Lite v0.1.0 [M+H]+ 155.9579 predictedDeepCCS 1.0 (2019) [M+Na]+ 164.5365153 predictedDarkChem Lite v0.1.0 [M+Na]+ 163.06114 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 2308022
- ZINC
- ZINC000033827793
- Predicted Properties
Property Value Source logP -0.67 Chemaxon pKa (Strongest Acidic) 3.38 Chemaxon pKa (Strongest Basic) 10.27 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 69.56 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 63.94 m3·mol-1 Chemaxon Polarizability 25.03 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon