Account (R)-2-((6S,9R,Z)-1-Amino-6-carboxy-1-imino-8,11-dioxo-12-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)-14-oxa-2,7,10,13-tetraazahexadec-12-en-9-yl)-5-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-3,6-dihydro-2H-1,3-thiazine-4-carboxylate
- Catalog No. :
- ACCHYV113
- CAS No. :
- 1277090-04-6
- Molecular Formula :
- C28H35N12O10PS4
- Molecular Weight :
- 858.90
IUPAC Name:(R)-2-((6S,9R,Z)-1,1-diamino-6-carboxy-8,11-dioxo-12-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)-14-oxa-2,7,10,13-tetraazahexadeca-1,12-dien-9-yl)-5-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-3,6-dihydro-2H-1,3-thiazine-4-carboxylate
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Product Information
| Product Name | (R)-2-((6S,9R,Z)-1-Amino-6-carboxy-1-imino-8,11-dioxo-12-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)-14-oxa-2,7,10,13-tetraazahexadec-12-en-9-yl)-5-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-3,6-dihydro-2H-1,3-thiazine-4-carboxylate |
|---|---|
| IUPAC Name | (R)-2-((6S,9R,Z)-1,1-diamino-6-carboxy-8,11-dioxo-12-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)-14-oxa-2,7,10,13-tetraazahexadeca-1,12-dien-9-yl)-5-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-3,6-dihydro-2H-1,3-thiazine-4-carboxylate |
| Molecular Formula | C28H35N12O10PS4 |
| Molecular Weight | 858.90 |
| SMILES | CCO/N=C(C1=NSC(NP(O)(O)=O)=N1)\C(N[C@@H]([C@]2([H])NC(C([O-])=O)=C(CS2)SC3=NC(C4=CC=[N+](C)C=C4)=CS3)C(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O |
| InChI Key | UKDQXYXUXPNEAQ-BRPYCVDDSA-N |
| Synonym | Ceftaroline Fosamil Impurity 8/(2R)-2-((9R,Z)-1-amino-6-carboxylato-1-imino-8,11-dioxo-12-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)-14-oxa-2,7,10,13-tetraazahexadec-12-en-9-yl)-5-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-3,6-dihydro-2H-1,3-thiazine-4-carboxylate;Ceftaroline Fosamil Impurity M;(R)-2-((6S,9R,Z)-1-amino-6-carboxy-1-imino-8,11-dioxo-12-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)-14-oxa-2,7,10,13-tetraazahexadec-12-en-9-yl)-5-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-3,6-dihydro-2H-1,3-thiazine-4-carboxylate;Tyrosine Impurity 25 |
| CAS No. | 1277090-04-6 |
Synthetic Route by SureRoute
2. ACCHYV113 Molecular Building Block Synthetic Route
(R)-2-((R)-Carboxy((Z)-2-(ethoxyimino)-2-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)acetamido)methyl)-5-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-3,6-dihydro-2H-1,3-thiazine-4-carboxylate
4-(2-(((6R,7R)-2-Carboxy-7-((Z)-2-(ethoxyimino)-2-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)thio)thiazol-4-yl)-1-methylpyridin-1-ium acetate
(6R,7R)-7-((Z)-2-(ethoxyimino)-2-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)acetamido)-3-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate--acetic acid (1/1) hydrate