Revospirone

Base Information

• Chemical Name: Revospirone
• CAS No.: 95847-87-3
• Molecular Formula: C18H21 N5 O3 S
• Molecular Weight: 387.462
• UNII: 6X8764TW2J
• DSSTox Substance ID: DTXSID10241982
• Wikipedia: Revospirone
• Wikidata: Q7318972
• NCI Thesaurus Code: C76509
• Pharos Ligand ID: Y9UMZUML2RAD
• Metabolomics Workbench ID: 155848
• ChEMBL ID: CHEMBL2107024
• Mol file: 95847-87-3.mol

Synonyms:2-(4-(2-pyrimidinyl)-1-piperazinylpropyl)-1,2-benzisothiazol-3(2H)one-1,1-dioxide;Bay Vq 7813;Bay Vq-7813

Chemical Property of Revospirone

Chemical Property:

• Vapor Pressure: 1.41E-15mmHg at 25°C
• Boiling Point: 625.8°Cat760mmHg
• Flash Point: 332.3°C
• PSA: 95.09000
• Density: 1.374g/cm³
• LogP: 1.85500
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 387.13651072
• Heavy Atom Count: 27
• Complexity: 623

Purity/Quality:

99% ^*data from raw suppliers

Revospirone(~90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4
• Uses: Revospirone is a novel 5-HT1A receptor agonist that produces pharmacologically active metabolite 1-Pyrimidinylpiperazine (1-PP).