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mitoxantrone dihydrochloride (CHEBI:50727)

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ChEBI Name mitoxantrone dihydrochloride
ChEBI ID CHEBI:50727
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
Save molfile Download Molfile
Formulae Sources
C22H28N4O6.2ClH ChemIDplus
C22H28N4O6.2HCl KEGG DRUG
C22H30Cl2N4O6 ChEBI
Net Charge 0
Average Mass 517.40236
InChI
InChI=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
InChIKey
ZAHQPTJLOCWVPG-UHFFFAOYSA-N
SMILES
Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing 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 hydrochloride ChemIDplus
Brand Names Sources
Novantron DrugBank
Novantrone DrugBank
Database Links Databases
D02166 KEGG DRUG
DB01204 DrugBank
View more database links
Registry Numbers Types Sources
4835931 Beilstein Registry Number Beilstein
70476-82-3 CAS Registry Number ChemIDplus
Last Modified
29 September 2008

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