API0233103
Ceftaroline Fosamil
Ceftaroline Fosamil is an antibiotic.
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CAS No.
400827-46-5
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Synonyms
Ceftaroline fosamil; Ceftaroline inner salt; ceftarolina fosamilo
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CHEMBL ID
CHEMBL501122
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Molecule Type
Small molecule
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Compound CID
9852981
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Molecular Weight (g/mol)
684.7
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Molecular Formula
C22H21N8O8PS4
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InChI
InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/b26-13-/t14-,19-/m1/s1
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InChIKey
ZCCUWMICIWSJIX-NQJJCJBVSA-N
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SMILES
CCO/N=C(/C1=NSC(=N1)NP(=O)(O)O)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)[O-]
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IUPAC Name
(6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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Exact Mass (Da)
684.01028135
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Monoisotopic Mass (Da)
684.01028135
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