Metabolite 3-Hydroxypromazine
- Name
- 3-Hydroxypromazine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 300.418
Monoisotopic: 300.129633962 - Chemical Formula
- C17H20N2OS
- InChI Key
- FCWHSDRYYOAXGG-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H20N2OS/c1-18(2)10-5-11-19-14-6-3-4-7-16(14)21-17-12-13(20)8-9-15(17)19/h3-4,6-9,12,20H,5,10-11H2,1-2H3
- IUPAC Name
- 10-[3-(dimethylamino)propyl]-10H-phenothiazin-3-ol
- SMILES
- CN(C)CCCN1C2=CC=CC=C2SC2=CC(O)=CC=C12
- Reactions
- Promazine 3-Hydroxypromazine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 183.3949049 predictedDarkChem Lite v0.1.0 [M-H]- 159.97017 predictedDeepCCS 1.0 (2019) [M+H]+ 183.3740049 predictedDarkChem Lite v0.1.0 [M+H]+ 162.32817 predictedDeepCCS 1.0 (2019) [M+Na]+ 183.5326049 predictedDarkChem Lite v0.1.0 [M+Na]+ 168.42133 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 60891
- ChEMBL
- CHEMBL3544858
- ZINC
- ZINC000001847587
- Predicted Properties
Property Value Source Water Solubility 0.111 mg/mL ALOGPS logP 4.08 ALOGPS logP 3.32 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 10.16 Chemaxon pKa (Strongest Basic) 9.15 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 26.71 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 90.93 m3·mol-1 Chemaxon Polarizability 33.84 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