Account (1S,4aR,11R,11aR,12S,12aR)-3-acetyl-1-(dimethylamino)-4,4a,6,7,12-pentahydroxy-11-methyl-11,11a,12,12a-tetrahydrotetracene-2,5(1H,4aH)-dione
- Catalog No. :
- ACEAJC578
- CAS No. :
- 122861-53-4
- Molecular Formula :
- C23H25NO8
- Molecular Weight :
- 443.45
IUPAC Name:(1S,4aR,11R,11aR,12S,12aR)-3-acetyl-1-(dimethylamino)-4,4a,6,7,12-pentahydroxy-11-methyl-11,11a,12,12a-tetrahydrotetracene-2,5(1H,4aH)-dione
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Product Information
| Product Name | (1S,4aR,11R,11aR,12S,12aR)-3-acetyl-1-(dimethylamino)-4,4a,6,7,12-pentahydroxy-11-methyl-11,11a,12,12a-tetrahydrotetracene-2,5(1H,4aH)-dione |
|---|---|
| IUPAC Name | (1S,4aR,11R,11aR,12S,12aR)-3-acetyl-1-(dimethylamino)-4,4a,6,7,12-pentahydroxy-11-methyl-11,11a,12,12a-tetrahydrotetracene-2,5(1H,4aH)-dione |
| Molecular Formula | C23H25NO8 |
| Molecular Weight | 443.45 |
| SMILES | CC(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)C4=C(C=CC=C4O)[C@H](C)[C@H]3[C@H](O)[C@H]2[C@H](N(C)C)C1=O |
| InChI Key | APPMTRBUFCUCRC-ACDFWTBPSA-N |
| Synonym | Doxycycline Hyclate IMpurity F;Doxycycline Impurity 6(Doxycycline EP Impurity F);(1S,4aR,11R,11aR,12S,12aR)-3-acetyl-1-(dimethylamino)-4,4a,6,7,12-pentahydroxy-11-methyl-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aR,5S,5aR,6R,12aS)-2-acetyl-4-(dimethylamino);1,11(4H,5H)-Naphthacenedione, 2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-, (4S,4aR,5S,5aR,6R,12aS)-;(4S)-4beta-Dimethylamino-1,4,4abeta,5,5abeta,6,11,12a-octahydro-3,5beta,10,12,12abeta-pentahydroxy-6beta-methyl-1,11-dioxo-2-acetylnaphthacene;2-Acetyl-2-decarbamoyldoxycycline;Doxycycline Impurity 2 |
| CAS No. | 122861-53-4 |
Synthetic Route by SureRoute
2. ACEAJC578 Molecular Building Block Synthetic Route
(1S,4aR,11S,11aR,12S,12aR)-3-acetyl-1-(dimethylamino)-4,4a,6,7,11,12-hexahydroxy-11-methyl-11,11a,12,12a-tetrahydrotetracene-2,5(1H,4aH)-dione
4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide hydrochloride
(4S,4aR,5S,6S,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide hydrochloride