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CHEBI:760321 - nilotinib laurylsulfate

Default Structure
ChEBI IDCHEBI:760321
ChEBI Namenilotinib laurylsulfate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC12H26O4S.C28H22F3N7O
Net Charge0
Average Mass795.929
Monoisotopic Mass795.33897
SMILESCCCCCCCCCCCCOS(=O)(=O)O.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C28H22F3N7O.C12H26O4S/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-16H,1-2H3,(H,35,39)(H,33,36,37);2-12H2,1H3,(H,13,14,15)
InChIKeyHLUJVEHZMWWRNT-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
nilotinib laurylsulfate (CHEBI:760321) has role antineoplastic agent (CHEBI:35610)
nilotinib laurylsulfate (CHEBI:760321) is a benzamides (CHEBI:22702)
Synonym  Source
Nilotinib laurylsulfateChEMBL