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CHEBI:3514 - Ceftriaxone disodium salt hemiheptahydrate

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.
Application:
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