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CHEBI:51919 - nafcillin sodium monohydrate

ChEBI IDCHEBI:51919
ChEBI Namenafcillin sodium monohydrate
Stars
Last Modified6 March 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC21H21N2O5S.H2O.Na
Net Charge0
Average Mass454.480
Monoisotopic Mass454.11745
SMILES[H]O[H].[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12.[Na+]
InChIInChI=1S/C21H22N2O5S.Na.H2O/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);;1H2/q;+1;/p-1/t15-,16+,19-;;/m1../s1
InChIKeyOCXSDHJRMYFTMA-KMFBOIRUSA-M
ChEBI Ontology
Outgoing Relation(s)
nafcillin sodium monohydrate (CHEBI:51919) has part nafcillin sodium (CHEBI:7448)
nafcillin sodium monohydrate (CHEBI:51919) is a hydrate (CHEBI:35505)
nafcillin sodium monohydrate (CHEBI:51919) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 6β-[(2-ethoxy-1-naphthoyl)amino]-2,2-dimethylpenam-3α-carboxylate hydrate
Synonyms  Source
nafcillin sodium hydrateChemIDplus
sodium (2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrateIUPAC
Wy 3277ChemIDplus
monohydrate of sodium salt of 6-(2-ethoxy-1-naphthamido)penicillanic acidPatent
Brand Names  Source
NallpenChemIDplus
UnipenChemIDplus
NafcilChemIDplus
Manual XrefsDatabases
US3506645Patent
Registry NumbersSources
Beilstein:11001487Beilstein
CAS:7177-50-6ChemIDplus