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CHEBI:50729 - mitoxantrone

ChEBI IDCHEBI:50729
ChEBI Namemitoxantrone
Stars
DefinitionA dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.
Secondary ChEBI IDsCHEBI:6955, CHEBI:43919
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H28N4O6
Net Charge0
Average Mass444.488
Monoisotopic Mass444.20088
SMILESO=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21
InChIInChI=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
InChIKeyKKZJGLLVHKMTCM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
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.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
mitoxantroneChemIDplus
mitoxantronaChemIDplus
mitoxantronumChemIDplus
Synonyms  Source
MitoxantroneKEGG COMPOUND
1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONEPDBeChem
Manual XrefsDatabases
C11195KEGG COMPOUND
MIXPDBeChem
DB01204DrugBank
DE2835661Patent
US4197249Patent
MitoxantroneWikipedia
D08224KEGG DRUG
LSM-2481LINCS
1821DrugCentral
Registry NumbersSources
Beilstein:2795126Beilstein
CAS:65271-80-9KEGG COMPOUND
CAS:65271-80-9ChemIDplus