Account (1S,4aR,4bR,10aR,11aS)-7-(2-(tert-Butylamino)acetamido)-9-(dimethylamino)-1,4,4a,6-tetrahydroxy-2,5,12-trioxo-1,2,4a,5,10,10a,11,11a-octahydro-1,4b-methanobenzo[b]fluorene-3-carboxamide
- Catalog No. :
- ACIZTM983
- CAS No. :
- 1268494-40-1
- Molecular Formula :
- C27H32N4O9
- Molecular Weight :
- 556.57
IUPAC Name:(1S,4aR,4bR,10aR,11aS)-7-(2-(tert-Butylamino)acetamido)-9-(dimethylamino)-1,4,4a,6-tetrahydroxy-2,5,12-trioxo-1,2,4a,5,10,10a,11,11a-octahydro-1,4b-methanobenzo[b]fluorene-3-carboxamide
![(1S,4aR,4bR,10aR,11aS)-7-(2-(tert-Butylamino)acetamido)-9-(dimethylamino)-1,4,4a,6-tetrahydroxy-2,5,12-trioxo-1,2,4a,5,10,10a,11,11a-octahydro-1,4b-methanobenzo[b]fluorene-3-carboxamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,4aR,4bR,10aR,11aS)-7-(2-(tert-Butylamino)acetamido)-9-(dimethylamino)-1,4,4a,6-tetrahydroxy-2,5,12-trioxo-1,2,4a,5,10,10a,11,11a-octahydro-1,4b-methanobenzo[b]fluorene-3-carboxamide |
|---|---|
| IUPAC Name | (1S,4aR,4bR,10aR,11aS)-7-(2-(tert-Butylamino)acetamido)-9-(dimethylamino)-1,4,4a,6-tetrahydroxy-2,5,12-trioxo-1,2,4a,5,10,10a,11,11a-octahydro-1,4b-methanobenzo[b]fluorene-3-carboxamide |
| Molecular Formula | C27H32N4O9 |
| Molecular Weight | 556.57 |
| SMILES | O=C(C1=C(O)[C@]2(O)[C@]3([C@](CC4=C(N(C)C)C=C(NC(CNC(C)(C)C)=O)C(O)=C45)([H])C[C@]2([H])[C@@](C3=O)(O)C1=O)C5=O)N |
| InChI Key | FBVQSWIWHMQLGD-IMIHRQKRSA-N |
| Synonym | Tigecycline Pentacyclic Analog;Tigecycline Impurity 5;(1S,4aR,4bR,10aR)-7-(2-(tert-butylamino)acetamido)-;Tigecycline Impurity H;Tigecycline Impurity 35;1,4b-Methano-4bH-benzo[b]fluorene-3-carboxamide, 9-(dimethylamino)-7-[[2-[(1,1-dimethylethyl)amino]acetyl]amino]-1,2,4a,5,10,10a,11,11a-octahydro-1,4,4a,6-tetrahydroxy-2,5,12-trioxo-, (1S,4aR,4bR,10aR,11aS)-;Tigecycline Impurity 7;Tigecycline USP Related Compound G |
| CAS No. | 1268494-40-1 |
Synthetic Route by SureRoute
2. ACIZTM983 Molecular Building Block Synthetic Route
(4S,4aS,5aR,12aS)-9-(2-(tert-Butylamino)acetamido)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
(4S,4aS,5aR,12aS)-4,7,9-Tris(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
(4S,4aS,5aR,12aS)-9-Amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride