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Mitoxantrone chemical structure, C22H28N4O6, CAS 65271-80-9
2D chemical structure

Key facts

What buyers check first

CAS number
65271-80-9
Formula
C22H28N4O6
Molar mass
444.49 g/mol
EC number
833-758-3
HS code
292250
Category
Analgesics and anti-inflammatories

What is Mitoxantrone?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
CAS number
65271-80-9 CAS number cross-checked
EC number
833-758-3
Molecular formula
C22H28N4O6
UNII
BZ114NVM5P
MDL number
MFCD00242942
InChIKey
KKZJGLLVHKMTCM-UHFFFAOYSA-N
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 (canonical and isomeric)
C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO

Synonyms

  • Mitozantrone
  • Mitoxanthrone
  • DHAQ
  • Mitoxantron
  • Mitoxantrona
  • Mitoxantronum
  • Misostol
  • 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
  • Ralenova
  • 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
  • mitoyantrone hydrochloride
  • 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
  • Dihydroxyanthraquinone
  • 1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
  • DHAD
Show all 35 synonyms
  • 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
  • 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]anthracene-9,10-dione
  • Anthraquinone, 5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxy-
  • Misostol (TN)
  • Mitoxantrone free base
  • Mitoxantrone (free base)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
444.49 g/molcalc.
Exact mass
444.2009 Dacalc.
LogP (octanol/water)
-0.14calc.
Topological polar surface area
163.2 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
12calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1c2ccccc2C(=O)c2ccccc21

O=C1c2ccccc2C(=O)c2ccccc21

3 rings, 16 atoms, the Anthraquinone ring system.

2,059 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H351Suspected of causing cancer.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (7)
  • P203Obtain, read and follow all safety instructions before use.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P391Collect spillage.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Mitoxantrone suppliers

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Mitoxantrone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Analgesics
  • Antineoplastic Agents
  • Topoisomerase II Inhibitors

Roles

  • analgesic
  • antineoplastic agent
  • immunomodulator
  • immunosuppressive agent
  • pharmaceutical

Pharmacology

Mitoxantrone is a Topoisomerase Inhibitor. The mechanism of action of mitoxantrone is as a Topoisomerase Inhibitor.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Mitoxantrone is traded under.

HS 2922.50Indicative HS code

Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function

World exports in 2024
$3.29B
−5.9% vs 2023, imports $3.19B
2019 to 2024
Top exporters
  1. China39.2%
  2. United Kingdom27.1%
  3. India * partner reported4.8%
Top importers
  1. United States20.7%
  2. Germany7.6%
  3. Italy6.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Mitoxantrone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mitoxantrone, based on the data on this page

What is Mitoxantrone?

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.

What is the CAS number of Mitoxantrone?

The CAS registry number of Mitoxantrone is 65271-80-9.

What is the molecular formula and weight of Mitoxantrone?

The molecular formula of Mitoxantrone is C22H28N4O6 and its molar mass is 444.49 g/mol.

What is Mitoxantrone used for?

Known uses and roles of Mitoxantrone include analgesics and antipyretics in pharmaceuticals, anticancer drugs in pharmaceuticals, analgesic, antineoplastic agent, immunomodulator and 5 more.

Is Mitoxantrone hazardous?

Mitoxantrone carries the GHS signal word "Warning". Main hazards: suspected of causing cancer, toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Mitoxantrone?

Mitoxantrone is usually classified under HS code 292250 (Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mitoxantrone?

CompoundList lists 76 suppliers of Mitoxantrone in United States, China, United Kingdom, Germany and 11 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Mitoxantrone in India?

1 supplier in India list Mitoxantrone on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Mitoxantrone?

Suppliers quote Mitoxantrone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Mitoxantrone

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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