Metabolite Levocetirizine O-dealkylated Metabolite (M6)
- Name
- Levocetirizine O-dealkylated Metabolite (M6)
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- RT6G4G3S0L
- CAS number
- Not Available
- Weight
- Average: 344.84
Monoisotopic: 344.1291556 - Chemical Formula
- C19H21ClN2O2
- InChI Key
- NBQBQRKLQXVPIS-LJQANCHMSA-N
- InChI
- InChI=1S/C19H21ClN2O2/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)22-12-10-21(11-13-22)14-18(23)24/h1-9,19H,10-14H2,(H,23,24)/t19-/m1/s1
- IUPAC Name
- 2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}acetic acid
- SMILES
- OC(=O)CN1CCN(CC1)[C@H](C1=CC=CC=C1)C1=CC=C(Cl)C=C1
- Reactions
- Levocetirizine Levocetirizine O-dealkylated Metabolite (M6)
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 176.50227 predictedDeepCCS 1.0 (2019) [M+H]+ 178.86026 predictedDeepCCS 1.0 (2019) [M+Na]+ 185.7676 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 31045857
- ZINC
- ZINC000065739617
- Predicted Properties
Property Value Source logP 1.11 Chemaxon pKa (Strongest Acidic) 3.89 Chemaxon pKa (Strongest Basic) 6.96 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 43.78 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 95.82 m3·mol-1 Chemaxon Polarizability 36.91 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