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Substance Name: 1,2,3-Benzenetriol, 5-(2-chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)-
RN: 103687-02-1
InChIKey: IRWUYCHOZISIDG-COOPMVRXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H18-Cl-N3-O3

Molecular Weight

  • 455.8992
 
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Names and Synonyms

Synonyms

  • 5-(2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)-1,2,3-benzenetriol
  • 5H-Dibenzo(d,h)(1,3,6)triazonine, 1,2,3-benzenetriol deriv.
  • 8-Chloro-6-phenyl-12-(3,4,5-trihydroxyphenyl)-11H-dibenzo(b,g)(1,3,6)triazonine

Systematic Name

  • 1,2,3-Benzenetriol, 5-(2-chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)-

Registry Numbers

CAS Registry Number

  • 103687-02-1

System Generated Number

  • 0103687021

Structure Descriptors

InChI

1S/C26H18ClN3O3/c27-17-10-11-19-18(14-17)24(15-6-2-1-3-7-15)28-20-8-4-5-9-21(20)30-26(29-19)16-12-22(31)25(33)23(32)13-16/h1-14,31-33H,(H,29,30)/b28-24-

InChIKey

IRWUYCHOZISIDG-COOPMVRXSA-N

Smiles

c1ccc(cc1)c2/c3cc(ccc3[nH]/c(n\c4ccccc4\n2)/c5cc(c(c(c5)O)O)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 47, Pg. 181, 1985.