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CHEBI:757868 - vorasidenib citrate

Default Structure
ChEBI IDCHEBI:757868
ChEBI Namevorasidenib citrate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C14H13ClF6N6.C14H13ClF6N6.C6H8O7
Net Charge0
Average Mass1039.620
Monoisotopic Mass1038.19645
SMILESC[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/2C14H13ClF6N6.C6H8O7.H2O/c2*1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21;7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*3-7H,1-2H3,(H2,22,23,25,26,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/t2*6-,7-;;/m11../s1
InChIKeyYOUTVRFNJAAFNS-DLVAHKFUSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
vorasidenib citrate (CHEBI:757868) has role antineoplastic agent (CHEBI:35610)
vorasidenib citrate (CHEBI:757868) is a carbonyl compound (CHEBI:36586)
Synonyms  Source
AG-881 citrateChEMBL
Vorasidenib citrateChEMBL