Metabolite Cinnarizine metabolite M1
- Name
- Cinnarizine metabolite M1
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- NU6V5ZHD9P
- CAS number
- Not Available
- Weight
- Average: 252.3541
Monoisotopic: 252.16264865 - Chemical Formula
- C17H20N2
- InChI Key
- NWVNXDKZIQLBNM-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
- IUPAC Name
- 1-(diphenylmethyl)piperazine
- SMILES
- C1CN(CCN1)C(C1=CC=CC=C1)C1=CC=CC=C1
- Reactions
- Cinnarizine Cinnarizine metabolite M1
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 170.2232216 predictedDarkChem Lite v0.1.0 [M-H]- 156.94604 predictedDeepCCS 1.0 (2019) [M+H]+ 171.0360216 predictedDarkChem Lite v0.1.0 [M+H]+ 159.30406 predictedDeepCCS 1.0 (2019) [M+Na]+ 170.5985216 predictedDarkChem Lite v0.1.0 [M+Na]+ 165.3972 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 63238
- ChEMBL
- CHEMBL1490469
- ZINC
- ZINC000019230112
- Predicted Properties
Property Value Source Water Solubility 0.149 mg/mL ALOGPS logP 2.53 ALOGPS logP 3.16 Chemaxon logS -3.2 ALOGPS pKa (Strongest Basic) 9.28 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 15.27 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 79.64 m3·mol-1 Chemaxon Polarizability 29.31 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon