Mitoxantrone hydrochlorideProduct ingredient for Mitoxantrone
- Name
- Mitoxantrone hydrochloride
- Drug Entry
- Mitoxantrone
An anthracenedione-derived antineoplastic agent.
- Accession Number
- DBSALT000121
- Structure
Structure for Mitoxantrone hydrochloride (DBSALT000121)
- Synonyms
- Mitoxantrone HCl / Mitoxantrone hydrochloride liposome
- UNII
- U6USW86RD0
- CAS Number
- 70476-82-3
- Weight
- Average: 517.403
Monoisotopic: 516.154240126 - Chemical Formula
- C22H30Cl2N4O6
- InChI Key
- ZAHQPTJLOCWVPG-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H28N4O6.2ClH/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;2*1H
- IUPAC Name
- 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione dihydrochloride
- SMILES
- Cl.Cl.OCCNCCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCCNCCO)C=C1
- External Links
- PubChem Compound
- 51082
- ChemSpider
- 46292
- ChEBI
- 50727
- ChEMBL
- CHEMBL1417019
- Wikipedia
- Mitoxantrone
- Predicted Properties
Property Value Source Water Solubility 0.734 mg/mL ALOGPS logP 0.91 ALOGPS logP 0.65 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 8.27 Chemaxon pKa (Strongest Basic) 9.36 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 163.18 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 123.53 m3·mol-1 Chemaxon Polarizability 47.92 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon