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Substance Name: Triaziquone [INN:BAN]
RN: 68-76-8
UNII: F3D5D9P25I
InChIKey: PXSOHRWMIRDKMP-UHFFFAOYSA-N

Note

  • Alkylating antineoplastic agent used mainly for ovarian tumors. It is toxic to skin, gastrointestinal tract, bone marrow and kidneys.

Molecular Formula

  • C12-H13-N3-O2

Molecular Weight

  • 231.2537
 

Classification Codes

Classification Codes

  • Alkylating Agents
  • Antineoplastic Agents
  • Antineoplastic Agents, Alkylating
  • Drug / Therapeutic Agent
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Triaziquone
  • Triaziquone [INN:BAN]

MeSH Heading

  • Triaziquone

Synonyms

  • 1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridine
  • 10257 R.P.
  • 2,3,5-Ethylenimine-1,4-benzoquinone
  • 2,3,5-Tri-(1-aziridinyl)-p-benzoquinone
  • 2,3,5-Triethyleneimino-1,4-benzoquinone
  • 2,3,5-Triethyleneimino-p-benzoquinone
  • 2,3,5-Tris(1-aziridino)-p-benzoquinone
  • 2,3,5-Tris(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione
  • 2,3,5-Tris(1-aziridinyl)-p-benzoquinone
  • 2,3,5-Tris(aziridino)-1,4-benzoquinone
  • 2,3,5-Tris(ethyleneimino)-1,4-benzoquinone
  • 2,3,5-Tris(ethylenimino)-1,4-benzoquinone
  • 2,3,5-Tris(ethylenimino)-p-benzoquinone
  • 2,3,5-Tris(ethylenimino)benzoquinone
  • 2,3,5-Tris-ethyleniminoquinone-(1,4)
  • 2,3,5-Trisethyleneiminobenzoquinone
  • 4-20-00-00031 (Beilstein Handbook Reference)
  • A 163
  • AI3-51086
  • Aziridine, 1,1',1''-(3,6-dioxo-1,4-cyclohexadiene-1,2,4-triyl)tris-
  • BAY 3231
  • Bayer 3231
  • BRN 0238057
  • CCRIS 1288
  • EINECS 200-692-6
  • HSDB 7306
  • NSC 29215
  • NSC-29215
  • Oncoredox
  • Oncovedex
  • p-Benzoquinone, tris(1-aziridinyl)-
  • Prenimon
  • Riker 601
  • Trenimon
  • Trenimone
  • Triazichon
  • Triazichon [German]
  • Triazicuona
  • Triazicuona [INN-Spanish]
  • Triaziquinone
  • Triaziquinonum
  • Triaziquon
  • Triaziquone
  • Triaziquonum
  • Triaziquonum [INN-Latin]
  • Triazoquinone
  • Triethyleneaminobenzoquinone
  • Triethyleneiminobenzoquinone
  • Triethyleniminobenzoquinone
  • Tris(1-aziridinyl)-p-benzoquinone
  • Tris(aziridinyl)-p-benzoquinone
  • Tris(ethyleneimino)benzoquinone
  • Trisaethyleniminobenzochinon
  • Trisaethyleniminobenzochinon [German]
  • Trisethyleneiminoquinone
  • UNII-F3D5D9P25I

Systematic Names

  • 2,5-Cyclohexadiene-1,4-dione, 2,3,5-tris(1-aziridinyl)-
  • p-Benzoquinone, 2,3,5-tris(1-aziridinyl)-
  • Triaziquone
  • Tris(1-aziridinyl)-p-benzoquinone

Superlist Names

  • 2,5-Cyclohexadiene-1,4-dione, 2,3,5-tris(1-aziridinyl)-
  • Triaziquone
  • Tris(aziridinyl)-p-benzoquinone

Registry Numbers

CAS Registry Number

  • 68-76-8

FDA UNII

  • F3D5D9P25I

Other Registry Number

  • 8059-32-3

System Generated Number

  • 0000068768

Structure Descriptors

InChI

1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2

InChIKey

PXSOHRWMIRDKMP-UHFFFAOYSA-N

Smiles

C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 500ug/kg (0.5mg/kg) BLOOD: LEUKOPENIA Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 1533, 1966.
rat LD50 intravenous 500ug/kg (0.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1467, 1970.
rat LD50 parenteral 500ug/kg (0.5mg/kg)   Recent Results in Cancer Research. Vol. 52, Pg. 76, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 162.5-163 deg C   EXP
Boiling Point 357.5 deg C   EXP
log P (octanol-water) -0.13 (none)   EXP
Water Solubility 3.94E+05 mg/L 25 EST
Vapor Pressure 1.92E-06 mm Hg 25 EST
Henry's Law Constant 9.25E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.05E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.