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Substance Name: 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-, ethyl ester
RN: 108734-79-8
InChIKey: BRCJKUKLWRLIGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-N3-O5

Molecular Weight

  • 381.3861
 
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Names and Synonyms

Synonyms

  • 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-di(parahydroxyphenyl)-as-triazine
  • Ethyl 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate

Systematic Name

  • 1,2,4-Triazine-2(3H)-acetic acid, 5,6-bis(4-hydroxyphenyl)-alpha-methyl-3-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 108734-79-8

System Generated Number

  • 0108734798

Structure Descriptors

InChI

1S/C20H19N3O5/c1-3-28-19(26)12(2)23-20(27)21-17(13-4-8-15(24)9-5-13)18(22-23)14-6-10-16(25)11-7-14/h4-12,24-25H,3H2,1-2H3

InChIKey

BRCJKUKLWRLIGH-UHFFFAOYSA-N

Smiles

CCOC(=O)C(C)n1c(=O)nc(c(n1)c2ccc(cc2)O)c3ccc(cc3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4677105,