CHEBI:50729 - mitoxantrone

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ChEBI Name mitoxantrone
ChEBI ID CHEBI:50729
Definition A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.
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
Monoisotopic Mass 444.201
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.
View more via ChEBI Ontology
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 dihydroxyanthraquinone (CHEBI:37484)
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
1821 DrugCentral
C11195 KEGG COMPOUND
D08224 KEGG DRUG
DB01204 DrugBank
DE2835661 Patent
LSM-2481 LINCS
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
22 February 2017