Atiratecan

Base Information

• Chemical Name: Atiratecan
• CAS No.: 867063-97-6
• Molecular Formula: C31H34N6O6
• Molecular Weight: 586.6
• UNII: B0AMG37FFR
• DSSTox Substance ID: DTXSID70235786
• Nikkaji Number: J3.020.400J
• Wikidata: Q755952
• NCI Thesaurus Code: C90995
• ChEMBL ID: CHEMBL1194480
• Mol file: 867063-97-6.mol

Synonyms:TP 300;TP-300;TP300 cpd

Chemical Property of Atiratecan

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 586.25398283
• Heavy Atom Count: 43
• Complexity: 1280

Purity/Quality:

98% ^*data from raw suppliers

ATIRATECAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCN1C=NC2=CC=CC3=C2C1=C4CN5C(=CC6=C(C5=O)COC(=O)C6(CC)OC(=O)CN(C)C(=O)CN)C4=N3
• Isomeric SMILES: CCCCCN1C=NC2=CC=CC3=C2C1=C4CN5C(=CC6=C(C5=O)COC(=O)[C@@]6(CC)OC(=O)CN(C)C(=O)CN)C4=N3
• Recent EU Clinical Trials: Phase II, open-label, multi-centre study of TP300 as a single agent as first line therapy in patients with advanced gastric cancer or gastroeosophageal junction adenocarcinoma.