Preferred Name |
mitoxantrone |
|
Synonyms |
Mitoxantrone 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione mitoxantronum mitoxantrona mitoxantrone 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE |
|
Definitions |
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. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_50729 |
|
charge |
0 |
|
database_cross_reference |
Wikipedia:Mitoxantrone KEGG:C11195 DrugBank:DB01204 Beilstein:2795126 CAS:65271-80-9 Patent:US4197249 Drug_Central:1821 KEGG:D08224 Patent:DE2835661 LINCS:LSM-2481 PDBeChem:MIX |
|
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. |
|
formula |
C22H28N4O6 |
|
has role | ||
has_alternative_id |
CHEBI:43919 CHEBI:6955 |
|
has_exact_synonym |
Mitoxantrone 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
mitoxantronum mitoxantrona mitoxantrone 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE |
|
id |
CHEBI:50729 |
|
in_subset | ||
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 |
|
label |
mitoxantrone |
|
mass |
444.48108 |
|
monoisotopicmass |
444.20088 |
|
notation |
CHEBI:50729 |
|
prefLabel |
mitoxantrone |
|
smiles |
OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 |
|
treeView | ||
subClassOf |