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CHEBI:750505 - alisertib sodium

Default Structure
ChEBI IDCHEBI:750505
ChEBI Namealisertib sodium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaNa.C27H19ClFN4O4.H2O
Net Charge0
Average Mass558.929
Monoisotopic Mass558.10822
SMILESCOc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)[O-].O.[Na+]
InChIInChI=1S/C27H20ClFN4O4.Na.H2O/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2;;/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33);;1H2/q;+1;/p-1
InChIKeyWLPXWQKMVACWII-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
alisertib sodium (CHEBI:750505) is a benzazepine (CHEBI:35676)
Synonyms  Source
Alisertib sodiumChEMBL
MLN-8237-004ChEMBL
MLN8237-004ChEMBL