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CHEBI:51254 - amoxicillin trihydrate

ChEBI IDCHEBI:51254
ChEBI Nameamoxicillin trihydrate
Stars
DefinitionA hydrate that is the trihydrate form of amoxicillin; a semisynthetic antibiotic, used either alone or in combination with potassium clavulanate (under the trade name Augmentin) for treatment of a variety of bacterial infections.
Last Modified18 March 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H19N3O5S.3H2O
Net Charge0
Average Mass419.456
Monoisotopic Mass419.13624
SMILESO.O.O.[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1
InChIInChI=1S/C16H19N3O5S.3H2O/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;;;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
InChIKeyMQXQVCLAUDMCEF-CWLIKTDRSA-N
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
amoxicillin trihydrate (CHEBI:51254) has part amoxicillin (CHEBI:2676)
amoxicillin trihydrate (CHEBI:51254) has role antibacterial drug (CHEBI:36047)
amoxicillin trihydrate (CHEBI:51254) has role antimicrobial agent (CHEBI:33281)
amoxicillin trihydrate (CHEBI:51254) is a hydrate (CHEBI:35505)
Incoming Relation(s)
Augmentin (CHEBI:2677) has part amoxicillin trihydrate (CHEBI:51254)
IUPAC Name 
6β-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3α-carboxylic acid trihydrate
Brand Names  Source
ZimoxChemIDplus
AmoxipenChemIDplus
LarotidChemIDplus
TrimoxChemIDplus
ClamoxylChemIDplus
PolymoxChemIDplus
Manual XrefsDatabases
D00229KEGG DRUG
DB01060DrugBank
Registry NumbersSources
Beilstein:7507120Beilstein
CAS:61336-70-7ChemIDplus