CHEBI:51351 - cloxacillin benzathine

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ChEBI Name cloxacillin benzathine
ChEBI ID CHEBI:51351
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C54H56Cl2N8O10S2
Net Charge 0
Average Mass 1112.10776
Monoisotopic Mass 1110.29379
InChI InChI=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
InChIKey COCFKSXGORCFOW-VZHMHXRYSA-N
SMILES [H][N+]([H])(CC[N+]([H])([H])Cc1ccccc1)Cc1ccccc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1Cl)C([O-])=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1Cl)C([O-])=O
ChEBI Ontology
Outgoing 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 cloxacillin ChemIDplus
Registry Number Type Source
23736-58-5 CAS Registry Number ChemIDplus
Last Modified
12 January 2009