Metabolite 10-hydroxycarbazepine sulfate
- Name
- 10-hydroxycarbazepine sulfate
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- VD6A0P3LLM
- CAS number
- Not Available
- Weight
- Average: 334.35
Monoisotopic: 334.062342733 - Chemical Formula
- C15H14N2O5S
- InChI Key
- DQCMJSSQBFEDHL-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H14N2O5S/c16-15(18)17-12-7-3-1-5-10(12)9-14(22-23(19,20)21)11-6-2-4-8-13(11)17/h1-8,14H,9H2,(H2,16,18)(H,19,20,21)
- IUPAC Name
- {2-carbamoyl-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-9-yl}oxidanesulfonic acid
- SMILES
- NC(=O)N1C2=CC=CC=C2CC(OS(O)(=O)=O)C2=CC=CC=C12
- Reactions
- Eslicarbazepine acetate Eslicarbazepine [(S)-licarbazepine]
- Eslicarbazepine [(S)-licarbazepine] Oxcarbazepine
- Oxcarbazepine Eslicarbazepine and R-licarbazepine
- Oxcarbazepine 10-hydroxycarbazepine sulfate
- Oxcarbazepine 10-hydroxycarbazepine glucuronide
- Eslicarbazepine [(S)-licarbazepine] Eslicarbazepine-O-glucuronide
- Eslicarbazepine [(S)-licarbazepine] Oxcarbazepine
- Eslicarbazepine acetate Eslicarbazepine [(S)-licarbazepine]
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 169.76839 predictedDeepCCS 1.0 (2019) [M+H]+ 172.12637 predictedDeepCCS 1.0 (2019) [M+Na]+ 178.64757 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.129 mg/mL ALOGPS logP -0.69 ALOGPS logP 1.79 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) -1.8 Chemaxon pKa (Strongest Basic) -3.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 109.93 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 82.28 m3·mol-1 Chemaxon Polarizability 31.58 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