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Substance Name: 1H-Pyrazolo(3,4-b)pyridine-1-ethanol, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-
RN: 114334-87-1
InChIKey: JPNWIKVFCIMFOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N3-O2

Molecular Weight

  • 367.4901
 
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Names and Synonyms

Synonyms

  • 3-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)-1H-pyrazolo(3,4-b)pyridine-1-ethanol
  • 3-(3,5-Di-tertiary-butyl-4-hydroxyphenyl)-1-(2-hydroxyethyl)-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)-

Registry Numbers

CAS Registry Number

  • 114334-87-1

System Generated Number

  • 0114334871

Structure Descriptors

InChI

1S/C22H29N3O2/c1-21(2,3)16-12-14(13-17(19(16)27)22(4,5)6)18-15-8-7-9-23-20(15)25(24-18)10-11-26/h7-9,12-13,26-27H,10-11H2,1-6H3

InChIKey

JPNWIKVFCIMFOX-UHFFFAOYSA-N

Smiles

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

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,