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CHEBI:756280 - pobilukast edamine

Default Structure
ChEBI IDCHEBI:756280
ChEBI Namepobilukast edamine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C26H34O5S.C2H8N2
Net Charge0
Average Mass536.735
Monoisotopic Mass536.29201
SMILESNCCN.O.O=C(O)CCS[C@H](c1ccccc1CCCCCCCCc1ccccc1)[C@@H](O)C(=O)O
InChIInChI=1S/C26H34O5S.C2H8N2.H2O/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20;3-1-2-4;/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31);1-4H2;1H2/t24-,25-;;/m1../s1
InChIKeyDIUCVZXIHDZZBV-LBDKHHEASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
pobilukast edamine (CHEBI:756280) is a benzenes (CHEBI:22712)
pobilukast edamine (CHEBI:756280) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
Pobilukast edamineChEMBL
(-)-pobilukast edamine anhydrousChEMBL
Pobilukast edamine anhydrousChEMBL
Pobilukast edamine monohydrateChEMBL
SK&F 104353-QChEMBL
SK&F-104353-QChEMBL