CHEBI:52065 - methicillin sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methicillin sodium
ChEBI ID CHEBI:52065
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formulae C17H19N2NaO6S
C17H19N2O6S.Na
Net Charge 0
Average Mass 402.39700
Monoisotopic Mass 402.08615
InChI InChI=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
InChIKey MGFZNWDWOKASQZ-UMLIZJHQSA-M
SMILES [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC)C([O-])=O
ChEBI Ontology
Outgoing methicillin sodium (CHEBI:52065) has part methicillin(1−) (CHEBI:52064)
methicillin sodium (CHEBI:52065) is a organic sodium salt (CHEBI:38700)
Incoming methicillin sodium monohydrate (CHEBI:34836) has part methicillin sodium (CHEBI:52065)
IUPAC Name
sodium 6β-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3α-carboxylate
Synonyms Sources
Dimocillin sodium ChemIDplus
Methicillin sodium anhydrous ChemIDplus
Meticillin sodium ChemIDplus
Meticillin sodium salt ChemIDplus
sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC
sodium 6β-(2,6-dimethoxybenzamido)penicillanate ChEBI
Manual Xref Database
US2951839 Patent
View more database links
Registry Numbers Types Sources
132-92-3 CAS Registry Number ChemIDplus
4778015 Beilstein Registry Number Beilstein
Last Modified
29 June 2010