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CHEBI:201658 - Cephradine monohydrate

ChEBI IDCHEBI:201658
ChEBI NameCephradine monohydrate
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FormulaC16H19N3O4S.H2O
Net Charge0
Average Mass367.427
Monoisotopic Mass367.12019
SMILESCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1.O
InChIInChI=1S/C16H19N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23);1H2
InChIKeyVHNPSPMQGXQSET-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cephradine monohydrate (CHEBI:201658) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
Manual XrefsDatabases
19990752ChemSpider