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CHEBI:3494 - Cefoperazone sodium

Default Structure
ChEBI IDCHEBI:3494
ChEBI NameCefoperazone sodium
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H26N9O8S2.Na
Net Charge0
Average Mass667.662
Monoisotopic Mass667.12435
SMILES[H][C@]12SCC(CSc3nnnn3C)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccc(O)cc1.[Na+]
InChIInChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1
InChIKeyNCFTXMQPRQZFMZ-WERGMSTESA-M
ChEBI Ontology
Outgoing Relation(s)
Cefoperazone sodium (CHEBI:3494) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Cefoperazone sodiumKEGG COMPOUND
Manual XrefsDatabases
C08112KEGG COMPOUND
D00918KEGG DRUG
Registry NumbersSources
CAS:62893-20-3KEGG COMPOUND