CHEBI:135968 - ceftobiprole medocaril

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ceftobiprole medocaril
ChEBI ID CHEBI:135968
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C26H26N8O11S2
C26H26N8O11S2
Net Charge 0
Average Mass 690.665
Monoisotopic Mass 690.11625
InChI InChI=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
InChIKey HFTSMHTWUFCYMJ-YIOMYIDASA-N
SMILES C=1(N2[C@](SCC1/C=C/3\CCN(C3=O)[C@]4(CN(CC4)C(OCC=5OC(OC5C)=O)=O)[H])([C@@](C2=O)(NC(/C(/C6=NSC(=N6)N)=N\O)=O)[H])[H])C(O)=O
Roles Classification
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
Application(s): 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.
(via cephalosporin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ceftobiprole medocaril (CHEBI:135968) has role prodrug (CHEBI:50266)
ceftobiprole medocaril (CHEBI:135968) is a cephalosporin (CHEBI:23066)
Synonyms Sources
BAL 9141 DrugCentral
BAL 9141-000 DrugCentral
BAL-9141 DrugCentral
BAL5788 DrugCentral
BAL9141 DrugCentral
ceftobiprole medocaril sodium DrugCentral
Ro 65-5788 DrugCentral
Manual Xref Database
4402 DrugCentral
View more database links
Registry Number Type Source
376653-43-9 CAS Registry Number DrugCentral
Last Modified
12 March 2018