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CHEBI:2969 - bacampicillin hydrochloride

ChEBI IDCHEBI:2969
ChEBI Namebacampicillin hydrochloride
Stars
DefinitionThe hydrochloride salt of bacampicillin.
Last Modified3 August 2014
DownloadsMolfile
FormulaH.C21H27N3O7S.Cl
Net Charge0
Average Mass501.989
Monoisotopic Mass501.13365
SMILES[Cl-].[H+].[H][C@]12SC(C)(C)[C@]([H])(C(=O)OC(C)OC(=O)OCC)N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C21H27N3O7S.ClH/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12;/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25);1H/t11?,13-,14-,15+,18-;/m1./s1
InChIKeyIWVTXAGTHUECPN-ANBBSHPLSA-N
ChEBI Ontology
Outgoing Relation(s)
bacampicillin hydrochloride (CHEBI:2969) has part bacampicillin (CHEBI:2968)
bacampicillin hydrochloride (CHEBI:2969) is a hydrochloride (CHEBI:36807)
IUPAC Name 
1-[(ethoxycarbonyl)oxy]ethyl 6β-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3α-carboxylate hydrochloride
Synonyms  Source
Bacampicillin hydrochlorideKEGG COMPOUND
bacampicillin HClChemIDplus
Manual XrefsDatabases
C08123KEGG COMPOUND
D00927KEGG DRUG
Registry NumbersSources
Beilstein:5721919Beilstein
CAS:37661-08-8KEGG COMPOUND
CAS:37661-08-8ChemIDplus
CAS:37661-08-8KEGG DRUG
Citations