CHEBI:31378 - cefpirome sulfate

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ChEBI Name cefpirome sulfate
ChEBI ID CHEBI:31378
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C22H22N6O5S2.H2O4S
C22H24N6O9S3
Net Charge 0
Average Mass 612.660
Monoisotopic Mass 612.07669
InChI InChI=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
InChIKey RKTNPKZEPLCLSF-QHBKFCFHSA-N
SMILES S(=O)(O)(O)=O.[C@]12(N(C(=C(CS1)C[N+]3=CC=CC4=C3CCC4)C([O-])=O)C([C@H]2NC(=O)/C(/C5=CSC(=N5)N)=N\OC)=O)[H]
ChEBI Ontology
Outgoing cefpirome sulfate (CHEBI:31378) has functional parent cefpirome (CHEBI:3503)
cefpirome sulfate (CHEBI:31378) is a azaheterocycle sulfate salt (CHEBI:38017)
Synonym Source
Cefpirome sulfate KEGG COMPOUND
Manual Xref Database
D01401 KEGG DRUG
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Registry Number Type Source
98753-19-6 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017