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CHEBI:3514 - Ceftriaxone disodium salt hemiheptahydrate

Default Structure
ChEBI IDCHEBI:3514
ChEBI NameCeftriaxone disodium salt hemiheptahydrate
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2C18H16N8O7S3.7H2O.4Na
Net Charge0
Average Mass1323.217
Monoisotopic Mass1322.09385
SMILESO.O.O.O.O.O.O.[H][C@]12SCC(CSc3nc(=O)c(=O)[n-]n3C)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1.[H][C@]12SCC(CSc3nc(=O)c(=O)[n-]n3C)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C18H18N8O7S3.4Na.7H2O/c2*1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;;;;;;;;;;/h2*5,9,15H,3-4H2,1-2H3,(H5,19,20,21,23,27,29,31,32);;;;;7*1H2/q;;4*+1;;;;;;;/p-4/b2*24-8-;;;;;;;;;;;/t2*9-,15-;;;;;;;;;;;/m11.........../s1
InChIKeyPMRZKYOXTPBIQF-MAODNAKNSA-J
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.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Applications:
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
Ceftriaxone disodium salt hemiheptahydrate (CHEBI:3514) is a cephalosporin (CHEBI:23066)
Synonyms  Source
Ceftriaxone disodium salt hemiheptahydrateKEGG COMPOUND
Ceftriaxone sodiumKEGG COMPOUND
Manual XrefsDatabases
D00924KEGG DRUG
Registry NumbersSources
CAS:104376-79-6KEGG COMPOUND