Ladirubicin

Base Information

• Chemical Name: Ladirubicin
• CAS No.: 171047-47-5
• Molecular Formula: C29H31 N O11 S
• Molecular Weight: 601.62
• UNII: U395ERO49H
• DSSTox Substance ID: DTXSID301031257
• Nikkaji Number: J1.193.926K
• NCI Thesaurus Code: C83861
• ChEMBL ID: CHEMBL2103926
• Mol file: 171047-47-5.mol

Synonyms:4-demethoxy-3'-deamino-3'-aziridinyl-4'-methylsulfonyldaunorubicin;ladirubicin;PNU 159548;PNU-159548

Chemical Property of Ladirubicin

Chemical Property:

• Vapor Pressure: 5.05E-27mmHg at 25°C
• Boiling Point: 800.3°C at 760 mmHg
• Flash Point: 437.8°C
• PSA: 185.12000
• Density: 1.59g/cm³
• LogP: 2.37980
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 601.16178198
• Heavy Atom Count: 42
• Complexity: 1220

Purity/Quality:

99% ^*data from raw suppliers

LADIRUBICIN 95.00% ^*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=CC=CC=C5C4=O)O)(C(=O)C)O)N6CC6)OS(=O)(=O)C
• 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=CC=CC=C5C4=O)O)(C(=O)C)O)N6CC6)OS(=O)(=O)C

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