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Substance Name: 1H-Pyrazolo(3,4-b)pyridine, 3-butoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
RN: 34614-29-4
InChIKey: JYEZATRKDHFEPJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-F3-N3-O

Molecular Weight

  • 335.327
 
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Names and Synonyms

Synonyms

  • 3-Butoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridine
  • BRN 0699280
  • ITF 1034

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 34614-29-4

System Generated Number

  • 0034614294

Structure Descriptors

InChI

1S/C17H16F3N3O/c1-2-3-10-24-16-14-8-5-9-21-15(14)23(22-16)13-7-4-6-12(11-13)17(18,19)20/h4-9,11H,2-3,10H2,1H3

InChIKey

JYEZATRKDHFEPJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 415mg/kg (415mg/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 300mg/kg (300mg/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.