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Substance Name: Benzoquinonium chloride
RN: 311-09-1
UNII: O6HVT48T15
InChIKey: WQRJZLXQCYZJEU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H50-N4-O2.2Cl

Molecular Weight

  • 617.701
 
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Names and Synonyms

Name of Substance

  • Benzoquinonium chloride

Synonyms

  • 2,5-Bis(3-diethylaminopropylamino)benzoquinone bis(benzyl chloride)
  • Amilyt
  • Benzoquinone, 2,5-bis(3-diethylaminopropylamino), bis-benzylchloride
  • Benzoquinonium chloride
  • Mytolon
  • Mytolon chloride
  • NSC 66373
  • UNII-O6HVT48T15
  • WIN 2747

Systematic Names

  • Ammonium, (p-benzoquinon-2,5-ylenebis(iminotrimethylene))bis(benzyldiethyl-, dichloride
  • Benzenemethanaminium, N,N'-(3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(imino-3,1-propanediyl)bis(N,N-diethyl-, dichloride

Registry Numbers

CAS Registry Number

  • 311-09-1

FDA UNII

  • O6HVT48T15

Related Registry Number

  • 7554-16-7 (Parent)

System Generated Number

  • 0000311091

Molecular Formulas

Molecular Formula

  • C34-H50-N4-O2.2Cl

Molecular Formula Fragments

  • C34-H50-N4-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C34H48N4O2.2ClH/c1-5-37(6-2,27-29-17-11-9-12-18-29)23-15-21-35-31-25-34(40)32(26-33(31)39)36-22-16-24-38(7-3,8-4)28-30-19-13-10-14-20-30;;/h9-14,17-20,25-26H,5-8,15-16,21-24,27-28H2,1-4H3;2*1H

InChIKey

WQRJZLXQCYZJEU-UHFFFAOYSA-N

Smiles

[N+](Cc1ccccc1)(CCCNC=1C(C=C(NCCC[N+](Cc2ccccc2)(CC)CC)C(C1)=O)=O)(CC)CC.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 11mg/kg (11mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 333, 1950.
dog LDLo intramuscular 150ug/kg (0.15mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 333, 1950.
dog LDLo intravenous 100ug/kg (0.1mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 333, 1950.
dog LDLo oral 5500ug/kg (5.5mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 333, 1950.
mouse LD50 intravenous 600ug/kg (0.6mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 333, 1950.
mouse LD50 oral 140mg/kg (140mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 333, 1950.
mouse LD50 subcutaneous 2500ug/kg (2.5mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 333, 1950.
rabbit LD50 intravenous 30ug/kg (0.03mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 22, Pg. 200, 1959.
rat LDLo oral 450mg/kg (450mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 333, 1950.
rat LDLo subcutaneous 2600ug/kg (2.6mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 333, 1950.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 193 deg C   EXP
log P (octanol-water) -1.560 (none)   EST
Atmospheric OH Rate Constant 2.47E-10 cm3/molecule-sec 25 EST

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