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CHEBI:31209 - ampicillin trihydrate

ChEBI IDCHEBI:31209
ChEBI Nameampicillin trihydrate
Stars
Last Modified2 December 2009
DownloadsMolfile
FormulaC16H19N3O4S.3H2O
Net Charge0
Average Mass403.457
Monoisotopic Mass403.14132
SMILES[H]O[H].[H]O[H].[H]O[H].[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1
InChIInChI=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
InChIKeyRXDALBZNGVATNY-CWLIKTDRSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
(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 trihydrateIUPAC
aminobenzylpenicillin trihydrateChemIDplus
Brand Names  Source
BinotalDrugBank
CampicillinDrugBank
PenbritinChemIDplus
PrincipenChemIDplus
Manual XrefsDatabases
D01251KEGG DRUG
DB00415DrugBank
Registry NumbersSources
Beilstein:5399534Beilstein
CAS:7177-48-2ChemIDplus