Account Cefclidin
- Catalog No. :
- ACTJEH302
- CAS No. :
- 105239-91-6
- Molecular Formula :
- C21H26N8O6S2
- Molecular Weight :
- 550.62
IUPAC Name:(6R,7R)-7-((Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetamido)-3-((4-carbamoylquinuclidin-1-ium-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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Product Information
| Product Name | Cefclidin |
|---|---|
| IUPAC Name | (6R,7R)-7-((Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetamido)-3-((4-carbamoylquinuclidin-1-ium-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Molecular Formula | C21H26N8O6S2 |
| Molecular Weight | 550.62 |
| SMILES | [O-]C(C1=C(C[N+]23CCC(CC2)(CC3)C(N)=O)CS[C@@]([C@@H]4NC(/C(C5=NSC(N)=N5)=N\OC)=O)([H])N1C4=O)=O |
| InChI Key | JUVHVMCKLDZLGN-TVNFHGJBSA-N |
| Synonym | 1-Azoniabicyclo(2.2.2)octane, 4-(aminocarbonyl)-1-((7-(((5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))- | 1-Azoniabicyclo(2.2.2)oct |
| CAS No. | 105239-91-6 |
| PubChem CID | 6537446 |
Synthetic Route by SureRoute
2. ACTJEH302 Molecular Building Block Synthetic Route
1-(((6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)-1-methylpyrrolidin-1-ium chloride hydrochloride hydrate
7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((1-methylpyrrolidin-1-ium-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
1-(((6R,7R)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)-1-methylpyrrolidin-1-ium chloride hydrochloride