Metabolite 1,4-dihydroxymidazolam
- Name
- 1,4-dihydroxymidazolam
- Description
- Not Available
- Structure
Structure for 1,4-dihydroxymidazolam
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 357.77
Monoisotopic: 357.0680325 - Chemical Formula
- C18H13ClFN3O2
- InChI Key
- OJDUJEPGFILARE-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H13ClFN3O2/c19-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)20)22-18(25)15-8-21-16(9-24)23(14)15/h1-8,18,24-25H,9H2
- IUPAC Name
- 12-chloro-9-(2-fluorophenyl)-3-(hydroxymethyl)-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaen-7-ol
- SMILES
- OCC1=NC=C2C(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
- Predicted Properties
Property Value Source Water Solubility 0.0721 mg/mL ALOGPS logP 2.3 ALOGPS logP 2.79 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 11.41 Chemaxon pKa (Strongest Basic) 4.26 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 70.64 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 102.16 m3·mol-1 Chemaxon Polarizability 34.37 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon