N-Acetyldoxorubicn
N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide
Also Known As: N-Acetyldoxorubicn|N-Acetyladriamycin|N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide|(1S,3S)-3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(1-hydroxyethylidene)amino]hexopyranoside|3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(1-hydroxyethylidene)amino]hexopyranoside|5, 10-[[3-(acetylamino)-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
| Molecular Formula | C29H31NO12 |
|---|---|
| Molecular Weight | 585.18463 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 585.18463 |
| Monoisotopic Mass | 585.18463 |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 69299-74-7 |
|---|---|
| SMILES | CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C)O |
| InChIKey | WMMDWCWHMHGCSH-JKHBLNKOSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Acetyldoxorubicn (CAS 69299-74-7), with molecular formula C29H31NO12 and molecular weight 585.18463 g/mol. IUPAC: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide.
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