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Desacetyl Cephapirin Sodium Salt

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For Research Use Only | Not For Clinical Use
CATAPS104557246
CAS104557-24-6
Structure
SynonymsCefapirin-desacetyl sodium, Deacetylcephapirin sodium salt,5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, monosodium salt, (6R-trans)- (9CI), (6R,7R)-3-(Hydroxymethyl)-8-oxo-7-[[2-(4-pyridinylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid sodium salt, Desacetylcephapirin sodium
IUPAC Namesodium;(6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Weight403.41
Molecular FormulaC15H14N3O5S2.Na
Canonical SMILES[Na+].OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)[O-]
InChIInChI=1S/C15H15N3O5S2.Na/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9
Accurate Mass403.0273
FormatNeat
SubcategoryChiral molecules
TypeMetabolite
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