Metabolite Methoxyzolpidem derivative (M4)
- Name
- Methoxyzolpidem derivative (M4)
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 39G0SF97R6
- CAS number
- Not Available
- Weight
- Average: 323.3889
Monoisotopic: 323.163376931 - Chemical Formula
- C19H21N3O2
- InChI Key
- OIIJRMHQIDOMPL-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H21N3O2/c1-13-4-7-15(8-5-13)19-16(10-18(24)21(2)3)22-11-14(12-23)6-9-17(22)20-19/h4-9,11,23H,10,12H2,1-3H3
- IUPAC Name
- 2-[6-(hydroxymethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
- SMILES
- CN(C)C(=O)CC1=C(N=C2C=CC(CO)=CN12)C1=CC=C(C)C=C1
- Reactions
- Zolpidem Methoxyzolpidem derivative (M4)
- Methoxyzolpidem derivative (M4) Zolpidem carboxylic acid derivative (M2)
- Zolpidem Methoxyzolpidem derivative (M4)
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 196.7923213 predictedDarkChem Lite v0.1.0 [M-H]- 182.73462 predictedDeepCCS 1.0 (2019) [M+H]+ 197.5614213 predictedDarkChem Lite v0.1.0 [M+H]+ 185.28445 predictedDeepCCS 1.0 (2019) [M+Na]+ 195.9256213 predictedDarkChem Lite v0.1.0 [M+Na]+ 193.07927 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 32702081
- ChEMBL
- CHEMBL3933830
- Predicted Properties
Property Value Source Water Solubility 0.0792 mg/mL ALOGPS logP 2.36 ALOGPS logP 1.74 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 14.83 Chemaxon pKa (Strongest Basic) 5.07 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 57.84 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 95.36 m3·mol-1 Chemaxon Polarizability 36.26 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