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CHEBI:135968 - ceftobiprole medocaril

ChEBI IDCHEBI:135968
ChEBI Nameceftobiprole medocaril
Stars
Last Modified12 March 2018
DownloadsMolfile
FormulaC26H26N8O11S2
Net Charge0
Average Mass690.673
Monoisotopic Mass690.11625
SMILES[H][C@@]1(N2CC/C(=C\C3=C(C(=O)O)N4C(=O)[C@@]([H])(NC(=O)/C(=N\O)c5nsc(N)n5)[C@@]4([H])SC3)C2=O)CCN(C(=O)OCc2oc(=O)oc2C)C1
InChIInChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15-/t13-,16-,22-/m1/s1
InChIKeyHFTSMHTWUFCYMJ-YIOMYIDASA-N
Roles Classification
Biological Roles:
drug allergen  Any drug which causes the onset of an allergic reaction.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
ceftobiprole medocaril (CHEBI:135968) has role prodrug (CHEBI:50266)
ceftobiprole medocaril (CHEBI:135968) is a cephalosporin (CHEBI:23066)
Synonyms  Source
BAL 9141-000DrugCentral
BAL 9141DrugCentral
ceftobiprole medocaril sodiumDrugCentral
BAL-9141DrugCentral
Ro 65-5788DrugCentral
BAL5788DrugCentral
Manual XrefsDatabases
4402DrugCentral
Registry NumbersSources
CAS:376653-43-9DrugCentral