Metabolite 1-hydroxymidazolam-N-glucuronide
- Name
- 1-hydroxymidazolam-N-glucuronide
- Description
- Not Available
- Structure
Structure for 1-hydroxymidazolam-N-glucuronide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 518.9
Monoisotopic: 518.1124823 - Chemical Formula
- C24H22ClFN3O7
- InChI Key
- WKQVLUKUVYMNKI-UHFFFAOYSA-O
- InChI
- InChI=1S/C24H21ClFN3O7/c25-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)26)27-8-12-9-28(17(10-30)29(12)16)23-21(33)19(31)20(32)22(36-23)24(34)35/h1-7,9,19-23,30-33H,8,10H2/p+1
- IUPAC Name
- 4-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)-12-chloro-9-(2-fluorophenyl)-3-(hydroxymethyl)-2,4lambda5,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaen-4-ylium
- SMILES
- OCC1=[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 0.0545 mg/mL ALOGPS logP 0.72 ALOGPS logP -3.4 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 2.55 Chemaxon pKa (Strongest Basic) 3.21 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 148.62 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 144.37 m3·mol-1 Chemaxon Polarizability 50.11 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