Metabolite glucuronyl-3-hydroxy-clonazepam
- Name
- glucuronyl-3-hydroxy-clonazepam
- Description
- Not Available
- Structure
Structure for glucuronyl-3-hydroxy-clonazepam
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 507.84
Monoisotopic: 507.0680715 - Chemical Formula
- C21H18ClN3O10
- InChI Key
- ZHYRGUGLANZUEE-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H18ClN3O10/c22-11-4-2-1-3-9(11)13-10-7-8(25(32)33)5-6-12(10)23-18(29)19(24-13)35-21-16(28)14(26)15(27)17(34-21)20(30)31/h1-7,14-17,19,21,26-28H,(H,23,29)(H,30,31)
- IUPAC Name
- 6-{[5-(2-chlorophenyl)-7-nitro-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- OC1C(O)C(OC2N=C(C3=CC=CC=C3Cl)C3=C(NC2=O)C=CC(=C3)[N+]([O-])=O)OC(C1O)C(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.155 mg/mL ALOGPS logP 1.51 ALOGPS logP 1.41 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 2.74 Chemaxon pKa (Strongest Basic) -2.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 201.05 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 116.5 m3·mol-1 Chemaxon Polarizability 46.07 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon