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CHEBI:31365 - Cefbuperazone sodium

ChEBI IDCHEBI:31365
ChEBI NameCefbuperazone sodium
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H28N9O9S2.Na
Net Charge0
Average Mass649.644
Monoisotopic Mass649.13491
SMILES[H][C@](NC(=O)N1CCN(CC)C(=O)C1=O)(C(=O)N[C@]1(OC)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@]21[H])[C@H](C)O.[Na+]
InChIInChI=1S/C22H29N9O9S2.Na/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3;/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37);/q;+1/p-1/t10-,12+,19+,22-;/m0./s1
InChIKeyWNJOIIXGSLBJAS-FDVIUCIPSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cefbuperazone sodium (CHEBI:31365) is a peptide (CHEBI:16670)
Synonym  Source
Cefbuperazone sodiumKEGG COMPOUND
Manual XrefsDatabases
D01736KEGG DRUG
Registry NumbersSources
CAS:76648-01-6KEGG COMPOUND