Metabolite methoxyzolpidem
- Name
- methoxyzolpidem
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 339.395
Monoisotopic: 339.158291548 - Chemical Formula
- C19H21N3O3
- InChI Key
- OQTVDLUCOCICRN-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H21N3O3/c1-12-10-22-15(8-18(25)21(2)3)19(20-17(22)9-16(12)24)14-6-4-13(11-23)5-7-14/h4-7,9-10,23-24H,8,11H2,1-3H3
- IUPAC Name
- 2-{7-hydroxy-2-[4-(hydroxymethyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl}-N,N-dimethylacetamide
- SMILES
- [H]C1=C([H])C(=C([H])C([H])=C1CO)C1=C(N2C([H])=C(C(O)=C([H])C2=N1)C([H])([H])[H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])[H]
- Reactions
- Zolpidem methoxyzolpidem
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 186.11298 predictedDeepCCS 1.0 (2019) [M+H]+ 188.0084 predictedDeepCCS 1.0 (2019) [M+Na]+ 194.65915 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.131 mg/mL ALOGPS logP 1.87 ALOGPS logP 1.43 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 8.52 Chemaxon pKa (Strongest Basic) 5.12 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 78.07 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 97.34 m3·mol-1 Chemaxon Polarizability 37.28 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon