Metabolite 10,11-Epoxycarbamazepine

Name
10,11-Epoxycarbamazepine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
QC9505F279
CAS number
Not Available
Weight
Average: 252.268
Monoisotopic: 252.089877638
Chemical Formula
C15H12N2O2
InChI Key
ZRWWEEVEIOGMMT-UHFFFAOYSA-N
InChI
InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
IUPAC Name
3-oxa-11-azatetracyclo[10.4.0.0²,⁴.0⁵,¹⁰]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide
SMILES
NC(=O)N1C2=CC=CC=C2C2OC2C2=CC=CC=C12
Reactions
External Links
Human Metabolome Database
HMDB0060658
KEGG Compound
C07496
ChemSpider
2458
BindingDB
50446047
ChEBI
3388
ChEMBL
CHEMBL1258
Predicted Properties
PropertyValueSource
Water Solubility1.34 mg/mLALOGPS
logP1.58ALOGPS
logP1.97ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)15.96ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area58.86 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity69.98 m3·mol-1ChemAxon
Polarizability25.61 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon