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CHEBI:750493 - pixantrone dimaleate

Default Structure
ChEBI IDCHEBI:750493
ChEBI Namepixantrone dimaleate
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC4H4O4.C17H19N5O2.C4H4O4
Net Charge0
Average Mass557.516
Monoisotopic Mass557.17579
SMILESNCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C17H19N5O2.2C4H4O4/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24;2*5-3(6)1-2-4(7)8/h1-3,6,9,21-22H,4-5,7-8,18-19H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKeySVAGFBGXEWPNJC-SPIKMXEPSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
pixantrone dimaleate (CHEBI:750493) has functional parent tetracarboxylic acid (CHEBI:35742)
pixantrone dimaleate (CHEBI:750493) has role antineoplastic agent (CHEBI:35610)
pixantrone dimaleate (CHEBI:750493) is a organooxygen compound (CHEBI:36963)
Synonyms  Source
BBR 2778 DIMALEATEChEMBL
BBR-2778 DIMALEATEChEMBL
NSC-752341ChEMBL
Pixantrone dimaleate saltChEMBL