13-Deoxydoxorubicin hydrochloride
(7S,9R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: GPX-100 hydrochloride|13-Deoxydoxorubicin hydrochloride|13-Deoxyadriamycin hydrochloride|GPX-100-|(7S,9R)-7-((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride|(7S,9R)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-tr|5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(2-HYDROXYETHYL)-1-METHOXY-, HYDROCHLORIDE, (8R,10S)-|5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyethyl)-1-methoxy-, hydrochloride, (8R,10S)-
| Molecular Formula | C27H32ClNO10 |
|---|---|
| Molecular Weight | 565.17145 g/mol |
| LogP | 1.2441 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 565.17145 |
| Monoisotopic Mass | 565.17145 |
| Heavy Atoms | 39 |
| Complexity | 1304.2035 |
Chemical Identifiers
| CAS Number | 65360-29-4 |
|---|---|
| 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=C(C4=O)C(=CC=C5)OC)O)(CCO)O)N)O.Cl |
Product Overview
13-Deoxydoxorubicin hydrochloride (CAS 65360-29-4), with molecular formula C27H32ClNO10 and molecular weight 565.17145 g/mol. IUPAC: (7S,9R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.