Mesoridazine
[CAS# 5588-33-0]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridazine
• Name: Mesoridazine
• Synonyms: 10-[2-(1-Methyl-2-Piperidyl)Ethyl]-2-Methylsulfinyl-Phenothiazine; 10-[2-(1-Methyl-2-Piperidinyl)Ethyl]-2-Methylsulfinylphenothiazine; 10-[2-(1-Methylpiperidin-2-Yl)Ethyl]-2-Methylsulfinyl-Phenothiazine
• Molecular Formula: C₂₁H₂₆N₂OS₂
• Molecular Weight: 386.57
• CAS Registry Number: 5588-33-0
• SMILES: C1=C([S](C)=O)C=CC3=C1N(C2=C(C=CC=C2)S3)CCC4N(CCCC4)C
• InChI: 1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
• InChIKey: SLVMESMUVMCQIY-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 570.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 298.9±30.1°C (Cal.)

References

• (1): Hongmao Sun. An Accurate and Interpretable Bayesian Classification Model for Prediction of hERG Liability, ChemMedChem 2006, 1(3), 315-322.