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CHEBI:51351 - cloxacillin benzathine

ChEBI IDCHEBI:51351
ChEBI Namecloxacillin benzathine
Stars
Last Modified12 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H22N2.2C19H17ClN3O5S
Net Charge0
Average Mass1112.128
Monoisotopic Mass1110.29379
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(-c2ccccc2Cl)noc1C.[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(-c2ccccc2Cl)noc1C.[H][N+]([H])(CC[N+]([H])([H])Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/2C19H18ClN3O5S.C16H20N2/c2*1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);1-10,17-18H,11-14H2/t2*13-,14+,17-;/m11./s1
InChIKeyCOCFKSXGORCFOW-VZHMHXRYSA-N
ChEBI Ontology
Outgoing Relation(s)
cloxacillin benzathine (CHEBI:51351) has part cloxacillin(1−) (CHEBI:51350)
cloxacillin benzathine (CHEBI:51351) is a benzathine(2+) salt (CHEBI:51347)
IUPAC Name 
N,N'-dibenzylethane-1,2-diaminium bis{2,2-dimethyl-6β-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3α-carboxylate}
Synonym  Source
benzathine cloxacillinChemIDplus
Registry NumbersSources
CAS:23736-58-5ChemIDplus