Molecular Identity
Mitoxantrone
1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
PubChem CID: 4212
Mitoxantrone is 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. It has a role as an analgesic and an antineoplastic agent.
2D Structure
Properties
C22H28N4O6
Molecular Formula
444.50
Molecular Weight
g/mol
444.2009
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
163
TPSA
May have limited oral absorption
8
H-Bond Donors
10
H-Bond Acceptors
571
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCOIsomeric SMILES
SMILES: C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCOSynonyms(20)
mitoxantrone65271-80-9MitozantroneMitoxanthroneDHAQMitoxantronMitoxantronaMitoxantronumMisostolNSC-279836NSC 279836BZ114NVM5PNSC2798361,4-Bis(2-(2-hydroxyethylamino)ethyl)amino)-5,8-dihydroxyanthraquinone1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-9,10-anthracenedione
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Mitoxantrone
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