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Substance Name: 1H-Pyrazolo(3,4-b)pyridine, 3-ethoxy-1-(3-(trifluoromethyl)phenyl)- (9CI)
RN: 34580-75-1
InChIKey: FCCSJNWKHDILGK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-F3-N3-O

Molecular Weight

  • 307.274
 
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Names and Synonyms

Synonyms

  • 3-Ethoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridine
  • BRN 0694420
  • ITF 1025

Systematic Names

  • 1H-Pyrazolo(3,4-b)pyridine, 3-ethoxy-1-(3-(trifluoromethyl)phenyl)- (9CI)
  • 1H-Pyrazolo(3,4-b)pyridine, 3-ethoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-

Registry Numbers

CAS Registry Number

  • 34580-75-1

System Generated Number

  • 0034580751

Structure Descriptors

InChI

1S/C15H12F3N3O/c1-2-22-14-12-7-4-8-19-13(12)21(20-14)11-6-3-5-10(9-11)15(16,17)18/h3-9H,2H2,1H3

InChIKey

FCCSJNWKHDILGK-UHFFFAOYSA-N

Smiles

c12c(cccn1)c(nn2c1cc(ccc1)C(F)(F)F)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 630mg/kg (630mg/kg) BEHAVIORAL: TREMOR

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Bollettino Chimico Farmaceutico. Vol. 111, Pg. 167, 1972.
mouse LD50 oral > 1gm/kg (1000mg/kg) BEHAVIORAL: TREMOR

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Bollettino Chimico Farmaceutico. Vol. 111, Pg. 167, 1972.
rat LD50 intraperitoneal 780mg/kg (780mg/kg) BEHAVIORAL: TREMOR

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Bollettino Chimico Farmaceutico. Vol. 111, Pg. 167, 1972.
rat LD50 oral > 1gm/kg (1000mg/kg) BEHAVIORAL: TREMOR

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Bollettino Chimico Farmaceutico. Vol. 111, Pg. 167, 1972.