Metabolite 4-hydroxymidazolam-O-glucuronide
- Name
- 4-hydroxymidazolam-O-glucuronide
- Description
- Not Available
- Structure
Structure for 4-hydroxymidazolam-O-glucuronide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 517.89
Monoisotopic: 517.1052059 - Chemical Formula
- C24H21ClFN3O7
- InChI Key
- MPHAZAPYEZYBRV-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H21ClFN3O7/c1-10-27-9-16-22(36-24-20(32)18(30)19(31)21(35-24)23(33)34)28-17(12-4-2-3-5-14(12)26)13-8-11(25)6-7-15(13)29(10)16/h2-9,18-22,24,30-32H,1H3,(H,33,34)
- IUPAC Name
- 6-{[12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- CC1=NC=C2C(OC3OC(C(O)C(O)C3O)C(O)=O)N=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 22378576
- Predicted Properties
Property Value Source Water Solubility 0.15 mg/mL ALOGPS logP 1.95 ALOGPS logP 0.88 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 2.86 Chemaxon pKa (Strongest Basic) 5.87 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 146.63 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 132.74 m3·mol-1 Chemaxon Polarizability 49.06 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon