Aldoxorubicin

Base Information

• Chemical Name: Aldoxorubicin
• CAS No.: 1361644-26-9
• Molecular Formula: C37H42N4O13
• Molecular Weight: 750.75
• European Community (EC) Number: 813-952-4
• UNII: C28MV4IM0B
• DSSTox Substance ID: DTXSID001098062
• Nikkaji Number: J2.017.217G
• Wikipedia: Aldoxorubicin
• NCI Thesaurus Code: C68921
• Metabolomics Workbench ID: 149612
• ChEMBL ID: CHEMBL2107818
• Mol file: 1361644-26-9.mol

Synonyms:Aldoxo;aldoxorubicin;DOXO-EMCH;INNO-206

Chemical Property of Aldoxorubicin

Chemical Property:

• PKA: 7.36±0.60(Predicted)
• PSA: 271.33000
• Density: 1.60±0.1 g/cm3(Predicted)
• LogP: 1.86830
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 750.27483741
• Heavy Atom Count: 54
• Complexity: 1510

Purity/Quality:

99% ^*data from raw suppliers

INNO-206 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)CCCCCN6C(=O)C=CC6=O)CO)O)N)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)CCCCCN6C(=O)C=CC6=O)/CO)O)N)O
• Recent ClinicalTrials: QUILT-2.024: Phase 2 Neoadjuvant, Consolidation, and Adjuvant Combination NANT Immunotherapy Versus Standard of Care in Subjects With Resectable Non-small Cell Lung Cancer
• Recent EU Clinical Trials: A Multicenter, Randomized, Open-Label Phase 2b Study to Investigate the Efficacy and Safety of Aldoxorubicin Compared to Topotecan in Subjects with Metastatic Small Cell Lung Cancer Who Either Relapsed or Were Refractory to Prior Chemotherapy