Metabolite Eslicarbazepine-O-glucuronide
- Name
- Eslicarbazepine-O-glucuronide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 367.405
Monoisotopic: 367.153206168 - Chemical Formula
- C20H21N3O4
- InChI Key
- NRSIPYUVLOFFHV-GOEBONIOSA-N
- InChI
- InChI=1S/C20H21N3O4/c21-20(27)23-17-7-3-1-5-13(17)11-16(15-6-2-4-8-18(15)23)22-14(12-24)9-10-19(25)26/h1-8,12,14,16,22H,9-11H2,(H2,21,27)(H,25,26)/t14-,16+/m0/s1
- IUPAC Name
- (10R)-10-(α-glutamyl)-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-2-carboxamide
- SMILES
- NC(=O)N1C2=CC=CC=C2C[C@@H](N[C@@H](CCC(O)=O)C=O)C2=C1C=CC=C2
- 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]- 177.20068 predictedDeepCCS 1.0 (2019) [M+H]+ 179.55869 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.68376 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.057 mg/mL ALOGPS logP -0.56 ALOGPS logP -0.87 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 3.72 Chemaxon pKa (Strongest Basic) 7.53 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 112.73 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 99.16 m3·mol-1 Chemaxon Polarizability 38.22 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon