Atibeprone

Base Information

• Chemical Name: Atibeprone
• CAS No.: 153420-96-3
• Molecular Formula: C17H18 N2 O3 S
• Molecular Weight: 330.4014
• UNII: PZV3P03F1U
• DSSTox Substance ID: DTXSID00165325
• Nikkaji Number: J1.099.160I
• Wikipedia: Atibeprone
• Wikidata: Q4815762
• NCI Thesaurus Code: C72707
• Pharos Ligand ID: UNWVU86YPCNB
• Metabolomics Workbench ID: 144611
• ChEMBL ID: CHEMBL19004
• Mol file: 153420-96-3.mol

Synonyms:Atibeprone;153420-96-3;Atibeprone [INN];UNII-PZV3P03F1U;PZV3P03F1U;3,4-dimethyl-7-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one;CHEMBL19004;LU-53439;7-((5-Isopropyl-1,3,4-thiadiazol-2-yl)methoxy)-3,4-dimethylcoumarin;D0BV8Y;SCHEMBL2111018;DTXSID00165325;BDBM50282506;Q4815762;Z2681891390;7-((5-Isopropyl-1,3,4 thiadiazol-2-yl)methoxy)-3,4-dimethylcoumarin;7-(5-Isopropyl-[1,3,4]thiadiazol-2-ylmethoxy)-3,4-dimethyl-chromen-2-one

Chemical Property of Atibeprone

Chemical Property:

• Vapor Pressure: 2E-11mmHg at 25°C
• Boiling Point: 532.7°Cat760mmHg
• Flash Point: 275.9°C
• PSA: 93.46000
• Density: 1.252g/cm³
• LogP: 3.96370
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 330.10381361
• Heavy Atom Count: 23
• Complexity: 494

Purity/Quality:

ATIBEPRONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NN=C(S3)C(C)C)C
• Therapeutic Function: Antidepressant