Belotecan

Base Information

• Chemical Name: Belotecan
• CAS No.: 256411-32-2
• Molecular Formula: C25H27N3O4
• Molecular Weight: 433.51
• UNII: 27Z82M2G1N
• DSSTox Substance ID: DTXSID60180332
• Nikkaji Number: J1.203.447D
• Wikipedia: Belotecan
• Wikidata: Q4884574
• NCI Thesaurus Code: C73305
• Pharos Ligand ID: B4Y6WNZJW53X
• Metabolomics Workbench ID: 153445
• ChEMBL ID: CHEMBL2111084
• Mol file: 256411-32-2.mol

Synonyms:7-(2-(N-isopropylamino)ethyl)camptothecin;belotecan;belotecan hydrochloride;CKD 602;CKD-602;CKD602

Chemical Property of Belotecan

Chemical Property:

• Vapor Pressure: 4.21E-25mmHg at 25°C
• Refractive Index: 1.678
• Boiling Point: 772.4 °C at 760 mmHg
• PKA: 11.24±0.20(Predicted)
• Flash Point: 420.9 °C
• PSA: 93.45000
• Density: 1.36 g/cm³
• LogP: 3.01100
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 433.20015635
• Heavy Atom Count: 32
• Complexity: 865

Purity/Quality:

99% ^*data from raw suppliers

CKD602 ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O
• Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O
• Recent ClinicalTrials: Trial of Belotecan/Cisplatin in Chemotherapy Naive Small Cell Lung Cancer Patient
• Uses: Antineoplastic (DNA topoisomerase I inhibitor).