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Cephapirin
SpectraBase Compound ID II25eXpQIyE
InChI InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)
InChIKey UQLLWWBDSUHNEB-UHFFFAOYSA-N
Mol Weight 423.46 g/mol
Molecular Formula C17H17N3O6S2
Exact Mass 423.055878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9j42xzLzKmo
Name Cephapirin
Alternate Name(s) 3-(acetoxymethyl)-8-keto-7-[[2-(4-pyridylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-(acetoxymethyl)-8-oxo-7-[[2-(4-pyridylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-pyridin-4-ylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-(acetyloxymethyl)-8-oxo-7-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Formula C17H17N3O6S2
InChI InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)
InChIKey UQLLWWBDSUHNEB-UHFFFAOYSA-N
Molecular Weight 423.458 g/mol
SMILES OC(C=1N2C(C(C2=O)NC(=O)CSc2ccncc2)SCC1COC(=O)C)=O
SPLASH splash10-03di-5900000000-baff1510ba368ffb3d69
Source of Spectrum KO-19-530-0
Wiley ID 1378879