Pumosetrag

Base Information

• Chemical Name: Pumosetrag
• CAS No.: 153062-94-3
• Molecular Formula: C15H17 N3 O2 S
• Molecular Weight: 303.3794
• UNII: 1G26B32139
• DSSTox Substance ID: DTXSID70165211
• Nikkaji Number: J1.647.209C
• Wikidata: Q27252379
• NCI Thesaurus Code: C84126
• Pharos Ligand ID: YH4ZNQ4XB8X3
• Metabolomics Workbench ID: 153395
• ChEMBL ID: CHEMBL1643880
• Mol file: 153062-94-3.mol

Synonyms:(R)-N-(3-quinuclidinyl)-7-oxo-dihydrothieno(3,2b)pyridine-6-carboxamide hydrochloride;DPP-733;MKC-733;Pumosetrag

Chemical Property of Pumosetrag

Chemical Property:

• Vapor Pressure: 2.59E-11mmHg at 25°C
• Boiling Point: 529.9°Cat760mmHg
• Flash Point: 274.3°C
• Density: 1.41g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 303.10414797
• Heavy Atom Count: 21
• Complexity: 499

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CCC1C(C2)NC(=O)C3=CNC4=C(C3=O)SC=C4
• Isomeric SMILES: C1CN2CCC1[C@H](C2)NC(=O)C3=CNC4=C(C3=O)SC=C4