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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H19N3O6S Net Charge 0 Average Mass 381.40400 Monoisotopic Mass 381.09946 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 Type Source 7227625 PubMed citation Europe PMC Last Modified 27 May 2014