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CHEBI:749589 - nilotinib hydrochloride monohydrate

Default Structure
ChEBI IDCHEBI:749589
ChEBI Namenilotinib hydrochloride monohydrate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C28H22F3N7O.HCl
Net Charge0
Average Mass584.002
Monoisotopic Mass583.17104
SMILESCc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1.Cl.O
InChIInChI=1S/C28H22F3N7O.ClH.H2O/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;;/h3-16H,1-2H3,(H,35,39)(H,33,36,37);1H;1H2
InChIKeyYCBPQSYLYYBPDW-UHFFFAOYSA-N
Roles Classification
Applications:
antiparkinson drug  A drug used in the treatment of Parkinson's disease.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
nilotinib hydrochloride monohydrate (CHEBI:749589) has role antineoplastic agent (CHEBI:35610)
nilotinib hydrochloride monohydrate (CHEBI:749589) has role antiparkinson drug (CHEBI:48407)
nilotinib hydrochloride monohydrate (CHEBI:749589) is a benzamides (CHEBI:22702)
Synonyms  Source
Nilotinib (as hydrochloride)ChEMBL
Nilotinib hydrochlorideChEMBL
Nilotinib hydrochloride anhydrousChEMBL
Nilotinib hydrochloride hydrateChEMBL
Nilotinib hydrochloride monohydrateChEMBL