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CHEBI:7448 - nafcillin sodium

ChEBI IDCHEBI:7448
ChEBI Namenafcillin sodium
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Last Modified12 March 2009
DownloadsMolfile
FormulaC21H21N2O5S.Na
Net Charge0
Average Mass436.465
Monoisotopic Mass436.10689
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12.[Na+]
InChIInChI=1S/C21H22N2O5S.Na/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);/q;+1/p-1/t15-,16+,19-;/m1./s1
InChIKeyAYAPZOUDXCDGIF-FRFVDRIFSA-M
ChEBI Ontology
Outgoing Relation(s)
nafcillin sodium (CHEBI:7448) has part nafcillin(1−) (CHEBI:51918)
nafcillin sodium (CHEBI:7448) is a organic sodium salt (CHEBI:38700)
Incoming Relation(s)
nafcillin sodium monohydrate (CHEBI:51919) has part nafcillin sodium (CHEBI:7448)
IUPAC Name 
sodium 6β-(2-ethoxynaphthalene-1-carboxamido)-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
Nafcillin sodiumKEGG COMPOUND
nafcillin sodium anhydrousChemIDplus
6-(2-ethoxy-1-naphthamido)penicillin sodiumChemIDplus
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-carboxylateIUPAC
Manual XrefsDatabases
C08124KEGG COMPOUND
DB00607DrugBank
Registry NumbersSources
Beilstein:4287293Beilstein
CAS:985-16-0KEGG COMPOUND
CAS:985-16-0ChemIDplus