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CHEBI:758972 - abequolixron zinc

Default Structure
ChEBI IDCHEBI:758972
ChEBI Nameabequolixron zinc
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaZn.C34H32ClF3NO3.C34H32ClF3NO3
Net Charge0
Average Mass1255.552
Monoisotopic Mass1252.33370
SMILESC[C@H](CCOc1cccc(CC(=O)[O-])c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1.C[C@H](CCOc1cccc(CC(=O)[O-])c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1.[Zn+2]
InChIInChI=1S/2C34H33ClF3NO3.Zn/c2*1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27;/h2*2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41);/q;;+2/p-2/t2*24-;/m11./s1
InChIKeyNKDIMXHKTSYXIU-WLHYKHABSA-L
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
abequolixron zinc (CHEBI:758972) has role antineoplastic agent (CHEBI:35610)
abequolixron zinc (CHEBI:758972) is a diarylmethane (CHEBI:51614)
Synonyms  Source
Abequolixron zincChEMBL
RGX-104 ZincChEMBL