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Substance Name: Acetic acid, ((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)
RN: 34580-64-8
InChIKey: OSBPZONQNBPENH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H10-F3-N3-O3

Molecular Weight

  • 337.256
 
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Names and Synonyms

Synonyms

  • ((1-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)acetic acid
  • BRN 0712662
  • ITF 1032

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 34580-64-8

System Generated Number

  • 0034580648

Structure Descriptors

InChI

1S/C15H10F3N3O3/c16-15(17,18)9-3-1-4-10(7-9)21-13-11(5-2-6-19-13)14(20-21)24-8-12(22)23/h1-7H,8H2,(H,22,23)

InChIKey

OSBPZONQNBPENH-UHFFFAOYSA-N

Smiles

n1(c2c(cccn2)c(n1)OCC(O)=O)c1cc(ccc1)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 480mg/kg (480mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: TREMOR

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Bollettino Chimico Farmaceutico. Vol. 111, Pg. 167, 1972.
mouse LD50 oral > 1gm/kg (1000mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Bollettino Chimico Farmaceutico. Vol. 111, Pg. 167, 1972.
rat LD50 intraperitoneal 250mg/kg (250mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: TREMOR

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

BEHAVIORAL: TREMOR

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Bollettino Chimico Farmaceutico. Vol. 111, Pg. 167, 1972.