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CHEBI:51343 - ampicillin benzathine

ChEBI IDCHEBI:51343
ChEBI Nameampicillin benzathine
Stars
Last Modified12 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
Formula2C16H18N3O4S.C16H22N2
Net Charge0
Average Mass939.174
Monoisotopic Mass938.38190
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1.[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1.[H][N+]([H])(CC[N+]([H])([H])Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/2C16H19N3O4S.C16H20N2/c2*1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);1-10,17-18H,11-14H2/t2*9-,10-,11+,14-;/m11./s1
InChIKeyRHKWJSNGCNASTF-PHGYPNQBSA-N
ChEBI Ontology
Outgoing Relation(s)
ampicillin benzathine (CHEBI:51343) has part ampicillin(1−) (CHEBI:50658)
ampicillin benzathine (CHEBI:51343) is a benzathine(2+) salt (CHEBI:51347)
IUPAC Name 
N,N'-dibenzylethane-1,2-diaminium bis{6β-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3α-carboxylate}
Synonyms  Source
ampicillin N,N'-dibenzylethylenediamine saltChemIDplus
benzathine ampicillinChemIDplus
Registry NumbersSources
CAS:33276-75-4ChemIDplus