Metabolite 4-hydroxymidazolam-N-glucuronide
- Name
- 4-hydroxymidazolam-N-glucuronide
- Description
- Not Available
- Structure
Structure for 4-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
- AXOCHZXLIQADEW-UHFFFAOYSA-O
- InChI
- InChI=1S/C24H21ClFN3O7/c1-10-28(23-20(32)18(30)19(31)21(36-23)24(34)35)9-16-22(33)27-17(12-4-2-3-5-14(12)26)13-8-11(25)6-7-15(13)29(10)16/h2-9,18-23,30-33H,1H3/p+1
- IUPAC Name
- 4-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)-12-chloro-9-(2-fluorophenyl)-7-hydroxy-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=C2C(O)N=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 0.0358 mg/mL ALOGPS logP 0.74 ALOGPS logP -2.5 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 2.83 Chemaxon pKa (Strongest Basic) -1.3 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 3 Chemaxon Refractivity 143.7 m3·mol-1 Chemaxon Polarizability 50 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