CHEBI:51254 - amoxicillin trihydrate

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ChEBI Name amoxicillin trihydrate
ChEBI ID CHEBI:51254
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H25N3O8S
Net Charge 0
Average Mass 419.45000
Monoisotopic Mass 419.13624
InChI InChI=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
InChIKey MQXQVCLAUDMCEF-CWLIKTDRSA-N
SMILES O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
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ChEBI Ontology
Outgoing 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 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 Sources
Amoxipen ChemIDplus
BRL 2333 ChemIDplus
Clamoxyl ChemIDplus
Larotid ChemIDplus
Moxaline ChemIDplus
Polymox ChemIDplus
Robamox ChemIDplus
Trimox ChemIDplus
Zimox ChemIDplus
Manual Xrefs Databases
D00229 KEGG DRUG
DB01060 DrugBank
View more database links
Registry Numbers Types Sources
61336-70-7 CAS Registry Number ChemIDplus
7507120 Beilstein Registry Number Beilstein
Last Modified
18 March 2015