Metabolite Zolpidem carboxylic acid derivative (M2)
- Name
- Zolpidem carboxylic acid derivative (M2)
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 9XFN6PR11W
- CAS number
- Not Available
- Weight
- Average: 337.3725
Monoisotopic: 337.142641489 - Chemical Formula
- C19H19N3O3
- InChI Key
- RFUGIBAONXDHRM-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H19N3O3/c1-12-4-6-13(7-5-12)18-15(10-17(23)21(2)3)22-11-14(19(24)25)8-9-16(22)20-18/h4-9,11H,10H2,1-3H3,(H,24,25)
- IUPAC Name
- 3-[(dimethylcarbamoyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
- SMILES
- CN(C)C(=O)CC1=C(N=C2C=CC(=CN12)C(O)=O)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]- 198.9277617 predictedDarkChem Lite v0.1.0 [M-H]- 178.5876 predictedDeepCCS 1.0 (2019) [M+H]+ 199.2443617 predictedDarkChem Lite v0.1.0 [M+H]+ 180.9456 predictedDeepCCS 1.0 (2019) [M+Na]+ 188.0883 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 22547353
- ZINC
- ZINC000022067506
- Predicted Properties
Property Value Source Water Solubility 0.0399 mg/mL ALOGPS logP 2.55 ALOGPS logP 1.03 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 3.43 Chemaxon pKa (Strongest Basic) 4.63 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 36.34 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