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CHEBI:50727 - mitoxantrone dihydrochloride

ChEBI IDCHEBI:50727
ChEBI Namemitoxantrone dihydrochloride
Stars
Last Modified29 September 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H28N4O6.2HCl
Net Charge0
Average Mass517.410
Monoisotopic Mass516.15424
SMILESCl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21
InChIInChI=1S/C22H28N4O6.2ClH/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;2*1H
InChIKeyZAHQPTJLOCWVPG-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
mitoxantrone dihydrochloride (CHEBI:50727) has part mitoxantrone (CHEBI:50729)
mitoxantrone dihydrochloride (CHEBI:50727) has role antineoplastic agent (CHEBI:35610)
mitoxantrone dihydrochloride (CHEBI:50727) is a hydrochloride (CHEBI:36807)
IUPAC Name 
1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione dihydrochloride
Synonym  Source
Mitoxantrone hydrochlorideChemIDplus
Brand Names  Source
NovantronDrugBank
NovantroneDrugBank
Manual XrefsDatabases
DB01204DrugBank
D02166KEGG DRUG
Registry NumbersSources
Beilstein:4835931Beilstein
CAS:70476-82-3ChemIDplus