Metabolite Prochlorperazine sulfoxide
- Name
- Prochlorperazine sulfoxide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 0A09U0GEU1
- CAS number
- Not Available
- Weight
- Average: 389.94
Monoisotopic: 389.1328613 - Chemical Formula
- C20H24ClN3OS
- InChI Key
- AZGYHFQQUZPAFZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H24ClN3OS/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)26(25)20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
- IUPAC Name
- 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-5lambda4-phenothiazin-5-one
- SMILES
- CN1CCN(CCCN2C3=CC=CC=C3S(=O)C3=C2C=C(Cl)C=C3)CC1
- Reactions
- Prochlorperazine Prochlorperazine sulfoxide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 187.6054 predictedDeepCCS 1.0 (2019) [M+H]+ 189.9634 predictedDeepCCS 1.0 (2019) [M+Na]+ 197.0741 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 2341182
- ChEMBL
- CHEMBL493466
- Predicted Properties
Property Value Source Water Solubility 0.83 mg/mL ALOGPS logP 2.34 ALOGPS logP 3.01 Chemaxon logS -2.7 ALOGPS pKa (Strongest Basic) 8.19 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.79 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 111.18 m3·mol-1 Chemaxon Polarizability 42.63 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon