Metabolite cis-10,11-dihydro-10,11-dihydroxycarbamazepine
- Name
- cis-10,11-dihydro-10,11-dihydroxycarbamazepine
- Description
- Not Available
- Structure
Structure for cis-10,11-dihydro-10,11-dihydroxycarbamazepine
- Synonyms
- Not Available
- UNII
- 7DQ8R1AQ9J
- CAS number
- Not Available
- Weight
- Average: 270.288
Monoisotopic: 270.100442319 - Chemical Formula
- C15H14N2O3
- InChI Key
- PRGQOPPDPVELEG-OKILXGFUSA-N
- InChI
- InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14+
- IUPAC Name
- (9R,10S)-9,10-dihydroxy-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-2-carboxamide
- SMILES
- NC(=O)N1C2=CC=CC=C2[C@@H](O)[C@@H](O)C2=C1C=CC=C2
- Reactions
- External Links
- ChemSpider
- 48060909
- ZINC
- ZINC000016343325
- Predicted Properties
Property Value Source Water Solubility 1.8 mg/mL ALOGPS logP 0.76 ALOGPS logP 0.81 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 12.84 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 86.79 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 73.49 m3·mol-1 Chemaxon Polarizability 27.22 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