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Substance Name: Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methyl-1H-pyrazolo(3,4-b)pyridin-3-yl)-
RN: 114334-88-2
InChIKey: GRPIDIKDPXUHDH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-O

Molecular Weight

  • 337.4643
 
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Names and Synonyms

Synonyms

  • 2,6-Bis(1,1-dimethylethyl)-4-(1-methyl-1H-pyrazolo(3,4-b)pyridin-3-yl)phenol
  • 3-(3,5-Di-tertiary-butyl-4-hydroxyphenyl)-1-methyl-1H-pyrazolo(3,4-b)pyridine

Systematic Name

  • Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methyl-1H-pyrazolo(3,4-b)pyridin-3-yl)-

Registry Numbers

CAS Registry Number

  • 114334-88-2

System Generated Number

  • 0114334882

Structure Descriptors

InChI

1S/C21H27N3O/c1-20(2,3)15-11-13(12-16(18(15)25)21(4,5)6)17-14-9-8-10-22-19(14)24(7)23-17/h8-12,25H,1-7H3

InChIKey

GRPIDIKDPXUHDH-UHFFFAOYSA-N

Smiles

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2c3cccnc3n(n2)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,