Emapunil

Base Information

• Chemical Name: Emapunil
• CAS No.: 226954-04-7
• Molecular Formula: C23H23 N5 O2
• Molecular Weight: 401.461
• UNII: OG837L732J
• DSSTox Substance ID: DTXSID40177220
• Nikkaji Number: J1.623.491E
• Wikipedia: Emapunil
• Wikidata: Q15408410
• NCI Thesaurus Code: C82906
• Pharos Ligand ID: AXCGPNHMWN4B
• Metabolomics Workbench ID: 153612
• ChEMBL ID: CHEMBL513922
• Mol file: 226954-04-7.mol

Synonyms:AC-5216;N-benzyl-N-ethyl-2-(7,8-dihydro-7-methyl-8-oxo-2-phenyl-9H-purin-9-yl)acetamide;XBD173

Chemical Property of Emapunil

Chemical Property:

• Vapor Pressure: 1.42E-11mmHg at 25°C
• Boiling Point: 536.2°Cat760mmHg
• Flash Point: 278.1°C
• PSA: 73.02000
• Density: 1.25g/cm³
• LogP: 2.84570
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 401.18517499
• Heavy Atom Count: 30
• Complexity: 602

Purity/Quality:

99%, ^*data from raw suppliers

Emapunil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC1=CC=CC=C1)C(=O)CN2C3=NC(=NC=C3N(C2=O)C)C4=CC=CC=C4
• Recent ClinicalTrials: Validation of the 18 kiloDalton Translocator Protein (TSPO) as a Novel Neuroimmunodulatory Target
• Uses: Emapunil possesses anxiolytic and antidepressant-like effects and a ligand for translocator protein (TSPO), which plays an important role in the depression treatment.

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