CHEBI:7448 - nafcillin sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name nafcillin sodium
ChEBI ID CHEBI:7448
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formulae C21H21N2NaO5S
C21H21N2O5S.Na
Net Charge 0
Average Mass 436.45769
Monoisotopic Mass 436.10689
InChI InChI=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
InChIKey AYAPZOUDXCDGIF-FRFVDRIFSA-M
SMILES [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C([O-])=O
ChEBI Ontology
Outgoing nafcillin sodium (CHEBI:7448) has part nafcillin(1−) (CHEBI:51918)
nafcillin sodium (CHEBI:7448) is a organic sodium salt (CHEBI:38700)
Incoming 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 Sources
6-(2-ethoxy-1-naphthamido)penicillin sodium ChemIDplus
Nafcillin sodium KEGG COMPOUND
nafcillin sodium anhydrous 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 IUPAC
Manual Xrefs Databases
C08124 KEGG COMPOUND
DB00607 DrugBank
View more database links
Registry Numbers Types Sources
4287293 Beilstein Registry Number Beilstein
985-16-0 CAS Registry Number KEGG COMPOUND
985-16-0 CAS Registry Number ChemIDplus
Last Modified
12 March 2009