CHEBI:53667 - cefadroxil monohydrate

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ChEBI Name cefadroxil monohydrate
ChEBI ID CHEBI:53667
Definition The hydrate that is the monohydrate of the cephalosporin cefadroxil.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H19N3O6S
Net Charge 0
Average Mass 381.40400
Monoisotopic Mass 381.099
InChI InChI=1S/C16H17N3O5S.H2O/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8;/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24);1H2/t10-,11-,15-;/m1./s1
InChIKey NBFNMSULHIODTC-CYJZLJNKSA-N
SMILES O.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C(O)=O
ChEBI Ontology
Outgoing cefadroxil monohydrate (CHEBI:53667) has part cefadroxil (CHEBI:3479)
cefadroxil monohydrate (CHEBI:53667) is a hydrate (CHEBI:35505)
IUPAC Name
7β-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid—water (1/1)
INN Source
cefadroxil ChemIDplus
Synonyms Sources
(6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid—water (1/1) IUPAC
Cefadroxil KEGG DRUG
Cefadroxil 1-wasser ChemIDplus
Manual Xrefs Databases
D02353 KEGG DRUG
DB01140 DrugBank
US4504657 Patent
View more database links
Registry Numbers Types Sources
5694571 Reaxys Registry Number Reaxys
5694571 Beilstein Registry Number Beilstein
66592-87-8 CAS Registry Number ChemIDplus
66592-87-8 CAS Registry Number KEGG DRUG
66592-87-8 CAS Registry Number DrugBank
Citation Waiting for Citations Type Source
7227625 PubMed citation Europe PMC
Last Modified
27 May 2014