Mitoxantrone
PubChem CID: 4212
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| Compound Synonyms | mitoxantrone, 65271-80-9, Mitozantrone, Mitoxanthrone, Mitoxantron, Mitoxantrona, DHAQ, Mitoxantronum, Misostol, Mitoxantrone [INN], Mitoxantronum [INN-Latin], Mitoxantrona [INN-Spanish], CCRIS 7604, NSC 279836, NSC-279836, UNII-BZ114NVM5P, DHAD, BZ114NVM5P, NSC279836, 1,4-Bis(2-(2-hydroxyethylamino)ethyl)amino)-5,8-dihydroxyanthraquinone, 1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione, BRN 2795126, Mitoxantrone (INN), Mitoxantrone free base, CHEBI:50729, 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(5-hydroxy-3-azapentylamino)anthrachinon, 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, 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-, MLS002703044, DTXSID4046947, 65271-80-9 (free base), MFCD00242942, 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-, NSC299195, NSC301739, MITOXANTRONE (IARC), MITOXANTRONE [IARC], Mitoxantronum (INN-Latin), Mitoxantrona (INN-Spanish), 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, MIX, MLS001333711, 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-, Misostol (TN), NCGC00015693-02, Mitoxantrone (free base), SMR000058480, Mitoxantrone [INN:BAN], CAS-70476-82-3, DHAQ (*Diacetate salt*), SR-01000076001, Mitoxantrone base, 2fum, 1,4-DIHYDROXY-5,8-BIS((2-((2-HYDROXYETHYL)AMINO)ETHYL)AMINO)-9,10-ANTHRACENEDIONE, 1,4-dihydroxy-5,8-bis(2-(2-hydroxyethylamino)ethylamino)anthracene-9,10-dione, 1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]anthracene-9,10-dione, Immunex (Salt/Mix), dihydroxyanthracenedione, 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], 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, DTXCID2026947, BDBM67690, cid_5458171, KBio1_000516, KBio2_002135, KBio2_004703, KBio2_007271, KBio3_002660, L01DB07, NINDS_000516, GLXC-03038, HMS2090D05, HMS3655E20, KUC108634N, BCP02861, CCG-36371, HY-13502R, s1889, STK631833, Mitoxantrone hydrochloride (Salt/Mix), AKOS005564036, BCP9000931, DB01204, FD26022, KSC-19-204, SDCCGSBI-0050757.P004, IDI1_000516, SMP2_000179, NCGC00015693-01, NCGC00015693-03, NCGC00015693-04, NCGC00015693-05, NCGC00015693-06, NCGC00015693-08, NCGC00015693-13, NCGC00015693-23, NCGC00162251-01, 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]-, 1,3-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, 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, 1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-anthracene-9,10-dione, DHAQ, NSC-279836, MITOXANTRONE, 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRA-9,10-QUINONE |
|---|---|
| Topological Polar Surface Area | 163.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 571.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08684, P05181, Q16678, P33527, P08183, Q9UNQ0, P11388 |
| Iupac Name | 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione |
| Prediction Hob | 0.0 |
| Class | Anthracenes |
| Target Id | NPT110, NPT1044, NPT1594, NPT4037, NPT4036, NPT1546, NPT613, NPT1540, NPT833, NPT72, NPT3373, NPT1422, NPT668, NPT160 |
| Xlogp | 1.0 |
| Superclass | Benzenoids |
| Subclass | Anthraquinones |
| Molecular Formula | C22H28N4O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KKZJGLLVHKMTCM-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -3.918 |
| Rotatable Bond Count | 12.0 |
| State | Liquid |
| Logd | 1.424 |
| Synonyms | 1,4-DIHYDROXY-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthracenedione, Mitoxantrona, Mitoxantronum, Misostol, Mitoxanthrone, Mitoxantron, ASTA medica brand OF mitoxantrone hydrochloride, Ralenova, Wyeth brand OF mitoxantrone hydrochloride, AHP brand OF mitoxantrone hydrochloride, Acetate, mitoxantrone, Lederle brand OF mitoxantrone hydrochloride, Mitozantrone, Novantron, Baxter oncology brand OF mitoxantrone hydrochloride, Columbia brand OF mitoxantrone hydrochloride, Hydrochloride, mitoxantrone, Mitoxantrone acetate, Novantrone, Onkotrone, Pralifan, Amgen brand OF mitoxantrone hydrochloride, DHAQ, Inibsa brand OF mitoxantrone hydrochloride, Mitoxantrone hydrochloride, Mitroxone |
| Compound Name | Mitoxantrone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 444.201 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 444.201 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 444.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Esol | -2.7113256000000012 |
| 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 |
| Smiles | C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Anthraquinones |
- 1. Outgoing r'ship
FOUND_INto/from Isodon Xerophilus (Plant) Rel Props:Source_db:cmaup_ingredients