CHEBI:31209 - ampicillin trihydrate

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ChEBI Name ampicillin trihydrate ChEBI ID CHEBI:31209 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C16H19N3O4S.3H2O C16H25N3O7S Net Charge 0 Average Mass 403.45172 Monoisotopic Mass 403.14132 InChI InChI=1S/C16H19N3O4S.3H2O/c1-16(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;;;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);3*1H2/t9-,10-,11+,14-;;;/m1.../s1 InChIKey RXDALBZNGVATNY-CWLIKTDRSA-N SMILES [H]O[H].[H]O[H].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O ChEBI Ontology Outgoing ampicillin trihydrate (CHEBI:31209) has part ampicillin (CHEBI:28971) ampicillin trihydrate (CHEBI:31209) is a hydrate (CHEBI:35505) IUPAC Name 6β-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3α-carboxylic acid trihydrate Synonyms Sources (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate IUPAC aminobenzylpenicillin trihydrate ChemIDplus Brand Names Sources Binotal DrugBank Campicillin DrugBank Penbritin ChemIDplus Principen ChemIDplus Manual Xrefs Databases D01251 KEGG DRUG DB00415 DrugBank View more database links Registry Numbers Types Sources 5399534 Beilstein Registry Number Beilstein 7177-48-2 CAS Registry Number ChemIDplus Last Modified 02 December 2009