CHEBI:51697 - apalcillin sodium

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ChEBI Name apalcillin sodium
ChEBI ID CHEBI:51697
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C25H22N5NaO6S
C25H22N5O6S.Na
Net Charge 0
Average Mass 543.52805
Monoisotopic Mass 543.11885
InChI InChI=1S/C25H23N5O6S.Na/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31;/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36);/q;+1/p-1/t15-,17-,19+,23-;/m1./s1
InChIKey DIGBQDMXLUJMHN-FSWJYKAZSA-M
SMILES [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@]([H])(NC(=O)c1cnc2cccnc2c1O)c1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing apalcillin sodium (CHEBI:51697) has part apalcillin(1−) (CHEBI:51699)
apalcillin sodium (CHEBI:51697) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium 6β-{(2R)-2-[(4-hydroxy-1,5-naphthyridin-3-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylate
INN Source
apalcillin sodium ChemIDplus
Synonym Source
apalcillin sodium salt ChemIDplus
Brand Names Sources
Lumota ChemIDplus
PC 904 ChemIDplus
Manual Xrefs Databases
D02415 KEGG DRUG
US4005075 Patent
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Registry Number Type Source
58795-03-2 CAS Registry Number ChemIDplus
Last Modified
29 January 2009