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CHEBI:34836 - methicillin sodium monohydrate

ChEBI IDCHEBI:34836
ChEBI Namemethicillin sodium monohydrate
Stars
Last Modified5 March 2009
DownloadsMolfile
FormulaC17H19N2O6S.H2O.Na
Net Charge0
Average Mass420.419
Monoisotopic Mass420.09672
SMILES[H]O[H].[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC.[Na+]
InChIInChI=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
InChIKeyNRZPASQBOYNGHR-HWROMZCQSA-M
ChEBI Ontology
Outgoing Relation(s)
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  Source
Sodium methicillin monohydrateKEGG COMPOUND
sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrateIUPAC
sodium 6β-(2,6-dimethoxybenzamido)penicillanate hydrateChEBI
Manual XrefsDatabases
C13973KEGG COMPOUND
D02196KEGG DRUG
Registry NumbersSources
CAS:7246-14-2KEGG COMPOUND