Account Doxo-emch
- Catalog No. :
- ACQVTN939
- CAS No. :
- 151038-96-9
- Molecular Formula :
- C37H42N4O13
- Molecular Weight :
- 750.76
IUPAC Name:N'-((Z)-1-((2S,4S)-4-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)-2-hydroxyethylidene)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide
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Product Information
| Product Name | Doxo-emch |
|---|---|
| IUPAC Name | N'-((Z)-1-((2S,4S)-4-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)-2-hydroxyethylidene)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide |
| Molecular Formula | C37H42N4O13 |
| Molecular Weight | 750.76 |
| SMILES | COC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(/C(CO)=N\NC(=O)CCCCCN5C(=O)C=CC5=O)C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(O)=C3C(=O)C2=CC=C1 |
| InChI Key | OBMJQRLIQQTJLR-LBMCFUDOSA-N |
| Synonym | 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-hexanoic acid (1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-hydroxyethylidene)hydrazide, (2S-cis)- | 1H-Pyrrole-1-hexanoic |
| CAS No. | 151038-96-9 |
| PubChem CID | 9576002 |
Synthetic Route by SureRoute
2. ACQVTN939 Molecular Building Block Synthetic Route
N'-(1-((2S,4S)-4-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)-2-hydroxyethylidene)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide hydrochloride
Aldoxorubicin hydrochloride
N'-((E)-1-((2S,4S)-4-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)-2-hydroxyethylidene)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide