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CHEBI:52068 - mezlocillin sodium monohydrate

ChEBI IDCHEBI:52068
ChEBI Namemezlocillin sodium monohydrate
Stars
Last Modified5 March 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H24N5O8S2.H2O.Na
Net Charge0
Average Mass579.589
Monoisotopic Mass579.10696
SMILES[H]O[H].[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(S(C)(=O)=O)C1=O)c1ccccc1.[Na+]
InChIInChI=1S/C21H25N5O8S2.Na.H2O/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);;1H2/q;+1;/p-1/t12-,13-,14+,17-;;/m1../s1
InChIKeyCZXDIDROKIDGNE-SYNJJEHYSA-M
ChEBI Ontology
Outgoing Relation(s)
mezlocillin sodium monohydrate (CHEBI:52068) has part mezlocillin sodium (CHEBI:52067)
mezlocillin sodium monohydrate (CHEBI:52068) is a hydrate (CHEBI:35505)
IUPAC Name 
sodium 6β-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylate—water (1/1)
Synonyms  Source
sodium (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrateIUPAC
sodium 6β-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate hydrateChEBI
Manual XrefsDatabases
D02221KEGG DRUG
Registry NumbersSources
CAS:80495-46-1KEGG DRUG