Afeletecan hydrochloride

Base Information

• Chemical Name: Afeletecan hydrochloride
• CAS No.: 215604-74-3
• Molecular Formula: C45H50ClN7O11S
• Molecular Weight: 932.4368
• UNII: DTJ7VPW43J
• NCI Thesaurus Code: C1886
• ChEMBL ID: CHEMBL4297664
• Mol file: 215604-74-3.mol

Synonyms:20-O-(Nalpha-(4-(3-O-methylfucopyranosyloxy)phenylaminothiocarbonyl)histidylvalyl)camptothecin;20-O-(Nalpha-(4-(3-O-methylfucopyranosyloxy)phenylaminothiocarbonyl)histidylvalyl)camptothecin hydrochloride;BAY 38-3441;BAY 383441;BAY 56-3722;BAY-38-3441;BAY-383441;BAY383441

Chemical Property of Afeletecan hydrochloride

Chemical Property:

• PSA: 269.57000
• LogP: 4.60950
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 14
• Exact Mass: 931.2977543
• Heavy Atom Count: 65
• Complexity: 1840

Purity/Quality:

>98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)C(C(C)C)NC(=O)C(CC6=CN=CN6)NC(=S)NC7=CC=C(C=C7)OC8C(C(C(C(O8)C)O)OC)O.Cl
• Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=S)NC7=CC=C(C=C7)O[C@@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)OC)O.Cl
• Recent ClinicalTrials: BAY 56-3722 in Treating Patients With Recurrent, Unresectable, or Metastatic Kidney Cancer