Pipotiazine

Base Information

• Chemical Name: Pipotiazine
• CAS No.: 39860-99-6
• Molecular Formula: C24H33 N3 O3 S2
• Molecular Weight: 475.67
• European Community (EC) Number: 254-659-6
• UNII: L903J9JPYV
• DSSTox Substance ID: DTXSID40192913
• Nikkaji Number: J16.029F
• Wikipedia: Pipotiazine
• Wikidata: Q567927
• NCI Thesaurus Code: C87657
• Pharos Ligand ID: 596MM9XQFYXP
• Metabolomics Workbench ID: 43605
• ChEMBL ID: CHEMBL398880
• Mol file: 39860-99-6.mol

Synonyms:19366 RP;19366-RP;pipothiazine;pipotiazin;RP 19366;RP-19366

Chemical Property of Pipotiazine

Chemical Property:

• Vapor Pressure: 8.39E-18mmHg at 25°C
• Boiling Point: 650.4°C at 760 mmHg
• PKA: 15.10±0.10(Predicted)
• Flash Point: 347.1°C
• PSA: 97.77000
• Density: 1.236g/cm³
• LogP: 5.10780
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 475.19633427
• Heavy Atom Count: 32
• Complexity: 691

Purity/Quality:

98%,99%, ^*data from raw suppliers

PIPOTIAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO
• Recent EU Clinical Trials: Randomized multicentric open-label phase III clinical trial to evaluate the efficacy of continual treatment versus discontinuation based in the presence of prodromes in a first episode of non-affective psychosis.
• Uses: Antipsychotic. Pipotiazine is drug repurposing for Covid-19: discovery of potential small-molecule inhibitors of spike protein-ACE2 receptor interaction through virtual screening and consensus scoring.
• Therapeutic Function: Neuroleptic