CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 717.8 |
|---|---|
| Melting Point | 172-174 |
| Solubility | not soluble in water, but soluble in DMSO |
| LogP | 2.64 |
COMPUTED DESCRIPTORS
| Molecular Weight | 483.5 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 483.15293138 g/mol |
| Monoisotopic Mass | 483.15293138 g/mol |
| Topological Polar Surface Area | 177 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 881 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Amrubicin is a synthetic anthracycline antibiotic with molecular formula C25H25NO9. A specific inhibitor of topoisomerase II, it is used (particularly as the hydrochloride salt) in the treatment of cancer, especially lung cancer, where it is a prodrug for the active metabolite, ambrucinol. It has a role as a topoisomerase II inhibitor, an antineoplastic agent and a prodrug. It is a quinone, a member of tetracenes, a methyl ketone, an anthracycline antibiotic and a primary amino compound.