CHEBI:51343 - ampicillin benzathine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ampicillin benzathine
ChEBI ID CHEBI:51343
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C48H58N8O8S2
Net Charge 0
Average Mass 939.15524
Monoisotopic Mass 938.382
InChI InChI=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
InChIKey RHKWJSNGCNASTF-PHGYPNQBSA-N
SMILES [H][N+]([H])(CC[N+]([H])([H])Cc1ccccc1)Cc1ccccc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C([O-])=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing 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 Sources
ampicillin N,N'-dibenzylethylenediamine salt ChemIDplus
benzathine ampicillin ChemIDplus
Registry Number Type Source
33276-75-4 CAS Registry Number ChemIDplus
Last Modified
12 January 2009