Metabolite Midazolam-N-glucuronide
- Name
- Midazolam-N-glucuronide
- Description
- Not Available
- Structure
Structure for Midazolam-N-glucuronide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 502.9
Monoisotopic: 502.1175677 - Chemical Formula
- C24H22ClFN3O6
- InChI Key
- ULVPQZCKSQYJQR-UHFFFAOYSA-O
- InChI
- InChI=1S/C24H21ClFN3O6/c1-11-28(23-21(32)19(30)20(31)22(35-23)24(33)34)10-13-9-27-18(14-4-2-3-5-16(14)26)15-8-12(25)6-7-17(15)29(11)13/h2-8,10,19-23,30-32H,9H2,1H3/p+1
- IUPAC Name
- 4-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)-12-chloro-9-(2-fluorophenyl)-3-methyl-2,4lambda5,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaen-4-ylium
- SMILES
- CC1=[N+](C=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12)C1OC(C(O)C(O)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 0.0303 mg/mL ALOGPS logP 0.88 ALOGPS logP -2.6 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 2.62 Chemaxon pKa (Strongest Basic) 3.28 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 128.39 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 142.67 m3·mol-1 Chemaxon Polarizability 49.42 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