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CHEBI:51697 - apalcillin sodium

ChEBI IDCHEBI:51697
ChEBI Nameapalcillin sodium
Stars
Last Modified29 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC25H22N5O6S.Na
Net Charge0
Average Mass543.537
Monoisotopic Mass543.11885
SMILES[H][C@](NC(=O)c1cnc2cccnc2c1O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@]12[H])c1ccccc1.[Na+]
InChIInChI=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
InChIKeyDIGBQDMXLUJMHN-FSWJYKAZSA-M
ChEBI Ontology
Outgoing Relation(s)
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 sodiumChemIDplus
Synonym  Source
apalcillin sodium saltChemIDplus
Brand Names  Source
LumotaChemIDplus
PC 904ChemIDplus
Manual XrefsDatabases
D02415KEGG DRUG
US4005075Patent
Registry NumbersSources
CAS:58795-03-2ChemIDplus