CHEBI:34836 - methicillin sodium monohydrate

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ChEBI Name methicillin sodium monohydrate
ChEBI ID CHEBI:34836
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C17H19N2O6S.Na.H2O
C17H21N2NaO7S
Net Charge 0
Average Mass 420.41300
Monoisotopic Mass 420.09672
InChI InChI=1S/C17H20N2O6S.Na.H2O/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);;1H2/q;+1;/p-1/t11-,12+,15-;;/m1../s1
InChIKey NRZPASQBOYNGHR-HWROMZCQSA-M
SMILES [Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC)C([O-])=O
ChEBI Ontology
Outgoing methicillin sodium monohydrate (CHEBI:34836) has part methicillin sodium (CHEBI:52065)
methicillin sodium monohydrate (CHEBI:34836) is a hydrate (CHEBI:35505)
IUPAC Name
sodium 6β-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3α-carboxylate—water (1/1)
Synonyms Sources
sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate IUPAC
sodium 6β-(2,6-dimethoxybenzamido)penicillanate hydrate ChEBI
Sodium methicillin monohydrate KEGG COMPOUND
Manual Xrefs Databases
C13973 KEGG COMPOUND
D02196 KEGG DRUG
View more database links
Registry Number Type Source
7246-14-2 CAS Registry Number KEGG COMPOUND
Last Modified
05 March 2009