Metabolite Prochlorperazine 7-hydroxide
- Name
- Prochlorperazine 7-hydroxide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 0786QQC55N
- CAS number
- Not Available
- Weight
- Average: 389.94
Monoisotopic: 389.1328613 - Chemical Formula
- C20H24ClN3OS
- InChI Key
- BRUHMTGXYBUCRP-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H24ClN3OS/c1-22-9-11-23(12-10-22)7-2-8-24-17-5-4-16(25)14-20(17)26-19-6-3-15(21)13-18(19)24/h3-6,13-14,25H,2,7-12H2,1H3
- IUPAC Name
- 8-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazin-3-ol
- SMILES
- CN1CCN(CCCN2C3=CC=C(O)C=C3SC3=C2C=C(Cl)C=C3)CC1
- Reactions
- Prochlorperazine Prochlorperazine 7-hydroxide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 187.57454 predictedDeepCCS 1.0 (2019) [M+H]+ 189.94011 predictedDeepCCS 1.0 (2019) [M+Na]+ 196.99568 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 10579892
- ChEMBL
- CHEMBL3544844
- ZINC
- ZINC000022061104
- Predicted Properties
Property Value Source Water Solubility 0.0593 mg/mL ALOGPS logP 4.26 ALOGPS logP 4.08 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 10.11 Chemaxon pKa (Strongest Basic) 7.98 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 29.95 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 111.79 m3·mol-1 Chemaxon Polarizability 42.89 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