Ledoxantrone
[CAS# 113457-05-9]

Identification

• Name: Ledoxantrone
• Molecular Formula: C₁₉H₂₃N₅OS
• Molecular Weight: 369.48
• CAS Registry Number: 113457-05-9
• SMILES: C2=CC(=C3SC1=CC(=O)C=CC1=C4NN(C2=C34)CCNCC)NCCN
• InChI: 1S/C19H23N5OS/c1-2-21-9-10-24-15-6-5-14(22-8-7-20)19-17(15)18(23-24)13-4-3-12(25)11-16(13)26-19/h3-6,11,21-23H,2,7-10,20H2,1H3
• InChIKey: LLPAHGKOIUUTHQ-UHFFFAOYSA-N

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 619.788°C at 760 mmHg (Cal.)
• Flash point: 328.636°C (Cal.)