Metabolite N-Hydroxythalidomide
- Name
- N-Hydroxythalidomide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- S99D86TD4B
- CAS number
- Not Available
- Weight
- Average: 274.232
Monoisotopic: 274.05897143 - Chemical Formula
- C13H10N2O5
- InChI Key
- ATCLIPYVSYRXGS-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H10N2O5/c16-10-6-5-9(13(19)15(10)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9,20H,5-6H2
- IUPAC Name
- 2-(1-hydroxy-2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
- SMILES
- ON1C(=O)CCC(N2C(=O)C3=CC=CC=C3C2=O)C1=O
- Reactions
- Thalidomide N-Hydroxythalidomide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 157.95557 predictedDeepCCS 1.0 (2019) [M+H]+ 160.31358 predictedDeepCCS 1.0 (2019) [M+Na]+ 166.40672 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 110804
- ChEMBL
- CHEMBL365514
- Predicted Properties
Property Value Source logP 0.013 Chemaxon pKa (Strongest Acidic) 7.15 Chemaxon pKa (Strongest Basic) -6.2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 94.99 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 66.09 m3·mol-1 Chemaxon Polarizability 25.32 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon