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Substance Name: 1H-Pyrazolo(3,4-b)pyridine-1-propanoic acid, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-,ethyl ester
RN: 114335-22-7
InChIKey: RMIBTLFWYXVPCE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H33-N3-O3

Molecular Weight

  • 423.5537
 
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Names and Synonyms

Synonyms

  • 3-(3,5-Di-tertiary-butyl-4-hydroxyphenyl)-1-(2-ethoxycarbonylethyl)-1H-pyrazolo(3,4-b)pyridine
  • Ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1H-pyrazolo(3,4-b)pyridine-1-propionate

Systematic Name

  • 1H-Pyrazolo(3,4-b)pyridine-1-propanoic acid, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-,ethyl ester

Registry Numbers

CAS Registry Number

  • 114335-22-7

System Generated Number

  • 0114335227

Structure Descriptors

InChI

1S/C25H33N3O3/c1-8-31-20(29)11-13-28-23-17(10-9-12-26-23)21(27-28)16-14-18(24(2,3)4)22(30)19(15-16)25(5,6)7/h9-10,12,14-15,30H,8,11,13H2,1-7H3

InChIKey

RMIBTLFWYXVPCE-UHFFFAOYSA-N

Smiles

CCOC(=O)CCn1c2c(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,