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Substance Name: Mitoxantrone diacetate
RN: 70711-41-0
InChIKey: ZWCKUVMZBKQQRG-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C22-H28-N4-O6.2C2-H4-O2

Molecular Weight

  • 564.5884
 
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Names and Synonyms

Name of Substance

  • Mitoxantrone diacetate

Synonyms

  • 1,4-Dihydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione diacetate
  • 5,8-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxy-9,10-anthracenedione diacetate
  • 5,8-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxyanthraquinone 1,4-diaceate
  • Dhaq diacetate
  • NSC 299195

Systematic Name

  • Anthraquinone, 5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxy-, 1,4-diacetate (salt)

Registry Numbers

CAS Registry Number

  • 70711-41-0

Related Registry Number

  • 65271-80-9 (Parent)

System Generated Number

  • 0070711410

Molecular Formulas

Molecular Formula

  • C22-H28-N4-O6.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C22-H28-N4-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N4O6.2C2H4O2/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;2*1-2(3)4/h1-4,23-30H,5-12H2;2*1H3,(H,3,4)

InChIKey

ZWCKUVMZBKQQRG-UHFFFAOYSA-N

Smiles

CC(=O)[O-].CC(=O)[O-].c1cc(c2c(c1NCC[NH2+]CCO)C(=O)c3c(ccc(c3C2=O)O)O)NCC[NH2+]CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 25mg/kg (25mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

CARDIAC: CARDIAC OUTPUT

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE
National Technical Information Service. Vol. PB297-169,
mouse LD50 intraperitoneal 61300ug/kg (61.3mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,