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CHEBI:53667 - cefadroxil monohydrate

ChEBI IDCHEBI:53667
ChEBI Namecefadroxil monohydrate
Stars
DefinitionThe hydrate that is the monohydrate of the cephalosporin cefadroxil.
Last Modified27 May 2014
SubmitterSteve
DownloadsMolfile
FormulaC16H17N3O5S.H2O
Net Charge0
Average Mass381.410
Monoisotopic Mass381.09946
SMILESO.[H][C@]12SCC(C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1
InChIInChI=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
InChIKeyNBFNMSULHIODTC-CYJZLJNKSA-N
ChEBI Ontology
Outgoing Relation(s)
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
cefadroxilChemIDplus
Synonyms  Source
CefadroxilKEGG DRUG
Cefadroxil 1-wasserChemIDplus
(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
Manual XrefsDatabases
D02353KEGG DRUG
DB01140DrugBank
US4504657Patent
Registry NumbersSources
Reaxys:5694571Reaxys
CAS:66592-87-8ChemIDplus
CAS:66592-87-8DrugBank
CAS:66592-87-8KEGG DRUG
Citations