Repinotan hydrochloride

Base Information

• Chemical Name: Repinotan hydrochloride
• CAS No.: 144980-77-8
• Molecular Formula: C21H24 N2 O4 S . Cl H
• Molecular Weight: 436.9522
• UNII: 1KBQ63168A
• DSSTox Substance ID: DTXSID70932465
• Wikidata: Q27252535
• Mol file: 144980-77-8.mol

Synonyms:2-(4-((chroman-2-ylmethyl)amino)butyl)-1,1-dioxobenzo(d)isothiazolone hydrochloride;BAY X 3702;BAY X-3702;repinotan;repinotan hydrochloride

Chemical Property of Repinotan hydrochloride

Chemical Property:

• Vapor Pressure: 2.49E-14mmHg at 25°C
• Melting Point: 192-194°
• Boiling Point: 599.5°Cat760mmHg
• Flash Point: 316.4°C
• PSA: 84.09000
• Density: g/cm³
• LogP: 4.80630
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 436.1223562
• Heavy Atom Count: 29
• Complexity: 647

Purity/Quality:

RepinotanHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2OC1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O.Cl
• Isomeric SMILES: C1CC2=CC=CC=C2O[C@H]1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O.Cl
• Recent ClinicalTrials: Repinotan in Patients With Acute Ischemic Stroke
• Uses: Repinotan Hydrochloride is a highly selective 5-HT1A receptor agonist.