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CHEBI:756722 - fedratinib hydrochloride

Default Structure
ChEBI IDCHEBI:756722
ChEBI Namefedratinib hydrochloride
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C27H36N6O3S.HCl.HCl
Net Charge0
Average Mass615.628
Monoisotopic Mass614.22088
SMILESCc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cl.Cl.O
InChIInChI=1S/C27H36N6O3S.2ClH.H2O/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4;;;/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31);2*1H;1H2
InChIKeyQAFZLTVOFJHYDF-UHFFFAOYSA-N
Roles Classification
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antifibrotic agent  Any agent which acts to reduce fibrosis.
ChEBI Ontology
Outgoing Relation(s)
fedratinib hydrochloride (CHEBI:756722) has role antifibrotic agent (CHEBI:233423)
fedratinib hydrochloride (CHEBI:756722) has role antineoplastic agent (CHEBI:35610)
fedratinib hydrochloride (CHEBI:756722) is a sulfonamide (CHEBI:35358)
Synonyms  Source
Fedratinib dihydrochloride monohydrateChEMBL
Fedratinib hydrochlorideChEMBL
Fedratinib hydrochloride monohydrateChEMBL
SAR302503AChEMBL
Brand Name  Source
InrebicChEMBL