mitoxantrone

Ligand id: 7242

Name: mitoxantrone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 8
Rotatable bonds 12
Topological polar surface area 163.18
Molecular weight 444.2
XLogP -2.17
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1987))
IUPAC Name
1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione
International Nonproprietary Names
INN number INN
4922 mitoxantrone
Synonyms
CL-232315 | Novantrone®
Database Links
CAS Registry No. 65271-80-9
ChEMBL Ligand CHEMBL58
DrugBank Ligand DB01204
GtoPdb PubChem SID 178103816
PubChem CID 4212
RCSB PDB Ligand MIX
Search Google for chemical match using the InChIKey KKZJGLLVHKMTCM-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey KKZJGLLVHKMTCM-UHFFFAOYSA-N
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Wikipedia Mitoxantrone
Comments
Marketed formulations may contain mitoxantrone hydrochloride (PubChem CID 5458171).