Compound: mitoxantrone
SMILES: O=C1c2c(C(=O)c3c1c(NCCNCCO)ccc3NCCNCCO)c(O)ccc2O
InChIKey: KKZJGLLVHKMTCM-UHFFFAOYSA-N
Synonyms: mitoxantrone, 65271-80-9, Mitozantrone, Mitoxanthrone, DHAQ, Mitoxantron, Mitoxantrona, Mitoxantronum, Misostol, NSC-279836, NSC 279836, BZ114NVM5P, NSC279836, 1,4-Bis(2-(2-hydroxyethylamino)ethyl)amino)-5,8-dihydroxyanthraquinone, 1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-9,10-anthracenedione, 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DTXSID4046947, CHEBI:50729, Ralenova, NSC299195, 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione, 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-, Acetate, Mitoxantrone, 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-, 1,4-DIHYDROXY-5,8-BIS((2-((2-HYDROXYETHYL)AMINO)ETHYL)AMINO)-9,10-ANTHRACENEDIONE, 1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-9,10-dihydroanthracene-9,10-dione, dihydroxyanthracenedione, RefChem:55656, mitoyantrone hydrochloride, DTXCID2026947, L01DB07, NSC301739D, NSC 301739D, NSC287836, NSC 287836, CL232325, CL 232325, 1,3-Dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-9, 10-anthracenedione, 1,4-Dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-9, 10-anthroquinone, 833-758-3, Dihydroxyanthraquinone, Mitoxantrone [INN], 1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione, DHAD, MFCD00242942, C22H28N4O6, Mitoxantrone (INN), 5,8-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxyanthraquinone, 1,4-Dihydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione, 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione, MLS002703044, 1,4-dihydroxy-5,8-bis[2-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)amino]ethylamino]anthracene-9,10-dione, 1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthracene-9,10-dione, Mitoxantronum [INN-Latin], Mitoxantrona [INN-Spanish], 1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]anthracene-9,10-dione, ANTHRAQUINONE, 5,8-BIS((2-((2-HYDROXYETHYL)AMINO)ETHYL)AMINO)-1,4-DIHYDROXY-, MIX, MLS001333711, Misostol (TN), CCRIS 7604, Mitoxantrone free base, NCGC00015693-02, Mitoxantrone (free base), SMR000058480, Mitoxantrone [INN:BAN], CAS-70476-82-3, UNII-BZ114NVM5P, DHAQ (*Diacetate salt*), BRN 2795126, SR-01000076001, Mitoxantrone base, 1,4-Dihydroxy-5,8-bis(5-hydroxy-3-azapentylamino)anthrachinon, 2fum, 65271-80-9 (free base), Immunex (Salt/Mix), Spectrum_001655, Mitoxantrone (Standard), CHEMBL58, Prestwick0_000385, Prestwick1_000385, Prestwick2_000385, Prestwick3_000385, Spectrum2_000908, Spectrum3_001590, Spectrum4_000866, Spectrum5_001205, Lopac-M-6545, MITOXANTRONE [MI], MITOXANTRONE [IARC], cid_4212, Neuro_000153, SCHEMBL3000, MITOXANTRONE [VANDF], BIDD:PXR0181, Lopac0_000779, BSPBio_000569, BSPBio_003160, KBioGR_001531, KBioSS_002135, DivK1c_000516, MITOXANTRONE [WHO-DD], SPBio_000756, SPBio_002490, BPBio1_000627, GTPL7242, orb1300634, SCHEMBL29353270, SCHEMBL29720597, BDBM67690, cid_5458171, KBio1_000516, KBio2_002135, KBio2_004703, KBio2_007271, KBio3_002660, NINDS_000516, GLXC-03038, HMS2090D05, HMS3655E20, KUC108634N, CCG-36371, EBC-17113, HY-13502R, s1889, STK631833, Mitoxantrone hydrochloride (Salt/Mix), AKOS005564036, DB01204, FD26022, KSC-19-204, SDCCGSBI-0050757.P004, 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-anthracene-9,10-dione, IDI1_000516, SMP2_000179, NCGC00015693-01, NCGC00015693-03, NCGC00015693-04, NCGC00015693-05, NCGC00015693-06, NCGC00015693-08, NCGC00015693-13, NCGC00015693-21, NCGC00015693-23, NCGC00162251-01, AC-37649, AS-35321, HY-13502, MITOXANTRONE, Mitoxantrone Hydrochloride, Mitoxantrone dihydrochloride, MITOXANTHRONE HYDROCHLORIDE, NCI60_002276, NCI60_002535, SMR001549953, SY226320, SBI-0050757.P003, AB00053716, M3133, NS00008439, SW196745-6, VU0244399-2, D08224, EN300-117257, AB00053716-18, AB00053716-19, AB00053716-22, AB00053716_23, AB00053716_24, Q239426, SR-01000076001-7, BRD-K21680192-001-01-5, BRD-K21680192-001-11-4, BRD-K21680192-300-05-2, BRD-K21680192-300-07-8, BRD-K21680192-300-09-4, BRD-K21680192-300-10-2, BRD-K21680192-300-12-8, BRD-K21680192-300-14-4, BRD-K21680192-300-15-1, BRD-K21680192-300-16-9, 1,4-bis[2-(2-hydroxyethylamino)-ethylamino]-5,8-dihydroxyanthraquinone, 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-dihydroxyanthraquinone, 1,4-dihydroxy-5,8-bis[[2-(2-hydroxyethylamino)ethyl]amino]anthraquinone, 9, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl] amino]-, 1,4-Dihydroxy-5,8-bis-[[2-[(2-hydroxyethyl)amino]ethyl]amino]anthraquinone, 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone;hydrochloride, 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;hydrochloride, 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione;hydrochloride, MITOXANTRONE; 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRA-9,10-QUINONE
Theoretical properties:
molecular_formula: C22H28N4O6
molecular_weight: 444.5 g/mol
exact_mass: 444.20088463 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 12
heavy_atom_count: 32
topological_polar_surface_area: 163 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 7.34e-01 g/L
Descriptions:
pubchem: 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.
chebi: 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.
chembl: MITOXANTRONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Mitoxantrone (INN, BAN, USAN; also known as Mitozantrone in Australia; trade name Novantrone) is an anthracenedione antineoplastic agent.