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> Main
CHEBI:50727 - mitoxantrone dihydrochloride
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ChEBI Ontology
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ChEBI Name
mitoxantrone dihydrochloride
ChEBI ID
CHEBI:50727
Stars
This entity has been manually annotated by the ChEBI Team.
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Formulae
C22H28N4O6.2ClH
C22H28N4O6.2HCl
C22H30Cl2N4O6
Net Charge
0
Average Mass
517.40236
Monoisotopic Mass
516.15424
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 via 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
Manual Xrefs
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