Epirubicin
(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C27H29NO11 |
|---|---|
| Molecular Weight | 543.5 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 206.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.1741 |
| Heavy Atoms | 39 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 56420-45-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O |
| InChIKey | AOJJSUZBOXZQNB-VTZDEGQISA-N |
📖 Product Overview
Epirubicin (CAS: 56420-45-2) is a chemical compound with molecular formula C27H29NO11 and molecular weight 543.5 g/mol. Its IUPAC systematic name is (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
AOJJSUZBOXZQNB-VTZDEGQISA-N.
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.
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