IUPAC name
1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione
SMILES
OCCNCCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCCNCCO)C=C1
Compound class
Antineoplastic Agents; Immunosuppressive Agents; Analgesics; Topoisomerase II Inhibitors; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; Anthracyclines and Related Substances; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;
Therapeutic area
For the treatment of secondary (chronic) progressive, progressive relapsing, or worsening relapsing-remitting multiple sclerosis.
Common name
Mitoxantrone
IUPAC name
1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione
SMILES
OCCNCCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCCNCCO)C=C1
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
FORMULA
C22H28N4O6
Common name
Mitoxantrone
IUPAC name
1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione
Molecular weight
444.481
clogP
1.623
clogS
-5.664
HBond Acceptor
6
HBond Donor
8
Total Polar Surface Area
163.18
Number of Rings
3
Rotatable Bond
12
