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 exact synonym

Mitoxantrone

1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione

has role

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_35480

has_alternative_id

CHEBI:43919

CHEBI:6955

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

http://purl.obolibrary.org/obo/chebi#3_STAR

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

subClassOf

http://purl.obolibrary.org/obo/CHEBI_37484

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_50729 PDRO SAME_URI
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