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Substance Name: 2-Propanone, 1-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)
RN: 34580-66-0
InChIKey: ASTCNIALLSQLQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-F3-N3-O2

Molecular Weight

  • 335.284
 
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Names and Synonyms

Synonyms

  • 1-((1-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-2-propanone
  • BRN 0709700
  • ITF 1028

Systematic Names

  • 2-Propanone, 1-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)
  • 2-Propanone, 1-((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-

Registry Numbers

CAS Registry Number

  • 34580-66-0

System Generated Number

  • 0034580660

Structure Descriptors

InChI

1S/C16H12F3N3O2/c1-10(23)9-24-15-13-6-3-7-20-14(13)22(21-15)12-5-2-4-11(8-12)16(17,18)19/h2-8H,9H2,1H3

InChIKey

ASTCNIALLSQLQN-UHFFFAOYSA-N

Smiles

C(C(C)=O)Oc1nn(c2c1cccn2)c1cc(ccc1)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 495mg/kg (495mg/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 365mg/kg (365mg/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.