Fenobam monohydrateProduct ingredient for Fenobam
- Name
- Fenobam monohydrate
- Drug Entry
- Fenobam
Fenobam is under investigation in clinical trial NCT00637221 (Open Label Study Investigating Safety and Efficacy of Fenobam anhydrous 50 mg - 150 mg on Prepulse Inhibition Tests and Continuous Performance Tasks, Adults With Fragile X Syndrome).
- Accession Number
- DBSALT002928
- Structure
Structure for Fenobam monohydrate (DBSALT002928)
- Synonyms
- Fenobam
- External IDs
- McN-3377-98
- UNII
- 07O6708M02
- CAS Number
- 63540-28-3
- Weight
- Average: 284.7
Monoisotopic: 284.067618 - Chemical Formula
- C11H13ClN4O3
- InChI Key
- UNFQKKSADLVQJE-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H11ClN4O2.H2O/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8;/h2-5H,6H2,1H3,(H2,13,14,15,17,18);1H2
- IUPAC Name
- 1-(3-chlorophenyl)-3-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)urea hydrate
- SMILES
- [H]O[H].CN1CC(=O)N=C1NC(=O)NC1=CC=CC(Cl)=C1
- External Links
- ChemSpider
- 187417
- ChEMBL
- CHEMBL2103779
- Predicted Properties
Property Value Source Water Solubility 0.552 mg/mL ALOGPS logP 1.29 ALOGPS logP 0.98 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 10.16 Chemaxon pKa (Strongest Basic) 1.28 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 73.8 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 67.7 m3·mol-1 Chemaxon Polarizability 25.5 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon