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CHEBI:31378 - cefpirome sulfate

ChEBI IDCHEBI:31378
ChEBI Namecefpirome sulfate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H22N6O5S2.H2O4S
Net Charge0
Average Mass612.668
Monoisotopic Mass612.07669
SMILESO=S(=O)(O)O.[H][C@]12SCC(C[n+]3cccc4c3CCC4)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1
InChIInChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1
InChIKeyRKTNPKZEPLCLSF-QHBKFCFHSA-N
ChEBI Ontology
Outgoing Relation(s)
cefpirome sulfate (CHEBI:31378) has functional parent cefpirome (CHEBI:3503)
cefpirome sulfate (CHEBI:31378) is a azaheterocycle sulfate salt (CHEBI:38017)
Synonym  Source
Cefpirome sulfateKEGG COMPOUND
Manual XrefsDatabases
D01401KEGG DRUG
Registry NumbersSources
CAS:98753-19-6KEGG COMPOUND