CHEBI:51919 - nafcillin sodium monohydrate

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ChEBI Name nafcillin sodium monohydrate
ChEBI ID CHEBI:51919
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H23N2NaO6S
Net Charge 0
Average Mass 454.47200
Monoisotopic Mass 454.11745
InChI InChI=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
InChIKey OCXSDHJRMYFTMA-KMFBOIRUSA-M
SMILES [Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C([O-])=O
ChEBI Ontology
Outgoing 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 Sources
monohydrate of sodium salt of 6-(2-ethoxy-1-naphthamido)penicillanic acid Patent
nafcillin sodium hydrate ChemIDplus
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 hydrate IUPAC
Wy 3277 ChemIDplus
Brand Names Sources
Nafcil ChemIDplus
Nallpen ChemIDplus
Unipen ChemIDplus
Manual Xref Database
US3506645 Patent
View more database links
Registry Numbers Types Sources
11001487 Beilstein Registry Number Beilstein
7177-50-6 CAS Registry Number ChemIDplus
Last Modified
06 March 2012