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Substance Name: 2-(3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1H-pyrazolo(3,4-b)pyridin-1-yl)ethyl acetate
RN: 114319-11-8
InChIKey: AFFGBZMJMCXQEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N3-O3

Molecular Weight

  • 409.5269
 
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Names and Synonyms

Name of Substance

  • 2-(3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1H-pyrazolo(3,4-b)pyridin-1-yl)ethyl acetate

Synonym

  • 1-(Acetoxyethyl)-3-(3,5-di-tertiary-butyl-4-hydroxyphenyl)-1H-pyrazolo(3,4-b)pyridine

Systematic Name

  • 1H-Pyrazolo(3,4-b)pyridine-1-ethanol, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-, alpha-acetate

Registry Numbers

CAS Registry Number

  • 114319-11-8

System Generated Number

  • 0114319118

Structure Descriptors

InChI

1S/C24H31N3O3/c1-15(28)30-12-11-27-22-17(9-8-10-25-22)20(26-27)16-13-18(23(2,3)4)21(29)19(14-16)24(5,6)7/h8-10,13-14,29H,11-12H2,1-7H3

InChIKey

AFFGBZMJMCXQEH-UHFFFAOYSA-N

Smiles

CC(=O)OCCn1c2c(cccn2)c(n1)c3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4808620,
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4808620,