EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52065 - methicillin sodium

ChEBI IDCHEBI:52065
ChEBI Namemethicillin sodium
Stars
Last Modified29 June 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H19N2O6S.Na
Net Charge0
Average Mass402.404
Monoisotopic Mass402.08615
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC.[Na+]
InChIInChI=1S/C17H20N2O6S.Na/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);/q;+1/p-1/t11-,12+,15-;/m1./s1
InChIKeyMGFZNWDWOKASQZ-UMLIZJHQSA-M
ChEBI Ontology
Outgoing Relation(s)
methicillin sodium (CHEBI:52065) has part methicillin(1−) (CHEBI:52064)
methicillin sodium (CHEBI:52065) is a organic sodium salt (CHEBI:38700)
Incoming Relation(s)
methicillin sodium monohydrate (CHEBI:34836) has part methicillin sodium (CHEBI:52065)
IUPAC Name 
sodium 6β-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
sodium 6β-(2,6-dimethoxybenzamido)penicillanateChEBI
Methicillin sodium anhydrousChemIDplus
Meticillin sodiumChemIDplus
Meticillin sodium saltChemIDplus
Dimocillin sodiumChemIDplus
Manual XrefsDatabases
US2951839Patent
Registry NumbersSources
Beilstein:4778015Beilstein
CAS:132-92-3ChemIDplus