Metabolite Zolpidem carboxylic acid derivative (M1)
- Name
- Zolpidem carboxylic acid derivative (M1)
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- OGV9R9660K
- CAS number
- Not Available
- Weight
- Average: 337.3725
Monoisotopic: 337.142641489 - Chemical Formula
- C19H19N3O3
- InChI Key
- FELZONDEFBLTSP-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H19N3O3/c1-12-4-9-16-20-18(13-5-7-14(8-6-13)19(24)25)15(22(16)11-12)10-17(23)21(2)3/h4-9,11H,10H2,1-3H3,(H,24,25)
- IUPAC Name
- 4-{3-[(dimethylcarbamoyl)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl}benzoic acid
- SMILES
- CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C=C1)C(O)=O
- Reactions
- Zolpidem Methoxyzolpidem derivative (M3)
- Methoxyzolpidem derivative (M3) Zolpidem carboxylic acid derivative (M1)
- Zolpidem Methoxyzolpidem derivative (M3)
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 200.8341617 predictedDarkChem Lite v0.1.0 [M-H]- 177.53517 predictedDeepCCS 1.0 (2019) [M+H]+ 201.2621617 predictedDarkChem Lite v0.1.0 [M+H]+ 179.89317 predictedDeepCCS 1.0 (2019) [M+Na]+ 200.7864617 predictedDarkChem Lite v0.1.0 [M+Na]+ 186.72588 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 10140042
- ZINC
- ZINC000022067509
- Predicted Properties
Property Value Source Water Solubility 0.0368 mg/mL ALOGPS logP 2.5 ALOGPS logP 0.67 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 3.81 Chemaxon pKa (Strongest Basic) 5.46 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 74.91 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 95.8 m3·mol-1 Chemaxon Polarizability 36.22 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