CHEBI:50729 - mitoxantrone

Main ChEBI Ontology Automatic Xrefs
ChEBI Name mitoxantrone
ChEBI ID CHEBI:50729
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43919, CHEBI:6955
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Formula C22H28N4O6
Net Charge 0
Average Mass 444.48108
InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
InChIKey KKZJGLLVHKMTCM-UHFFFAOYSA-N
SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Roles Classification
Biological Role(s): analgesic
An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
Application(s): analgesic
An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing mitoxantrone (CHEBI:50729) has role analgesic (CHEBI:35480)
mitoxantrone (CHEBI:50729) has role antineoplastic agent (CHEBI:35610)
mitoxantrone (CHEBI:50729) is a hydroxyanthraquinones (CHEBI:37485)
Incoming mitoxantrone dihydrochloride (CHEBI:50727) has part mitoxantrone (CHEBI:50729)
IUPAC Name
1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione
INNs Sources
mitoxantrona ChemIDplus
mitoxantrone ChemIDplus
mitoxantronum ChemIDplus
Synonyms Sources
1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE PDBeChem
Mitoxantrone KEGG COMPOUND
Database Links Databases
C11195 KEGG COMPOUND
D08224 KEGG DRUG
DB01204 DrugBank
DE2835661 Patent
Mitoxantrone Wikipedia
MIX PDBeChem
US4197249 Patent
View more database links
Registry Numbers Types Sources
2795126 Beilstein Registry Number Beilstein
65271-80-9 CAS Registry Number KEGG COMPOUND
65271-80-9 CAS Registry Number ChemIDplus
Last Modified
28 July 2014