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Substance Name: Acetic acid, ((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, ethyl ester
RN: 34580-65-9
InChIKey: JGHXHFHJVYSBOU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-F3-N3-O3

Molecular Weight

  • 365.31
 
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Names and Synonyms

Synonyms

  • ((1-(3-(Trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)acetic acid ethyl ester
  • BRN 0719590
  • ITF 1030

Systematic Name

  • Acetic acid, ((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 34580-65-9

System Generated Number

  • 0034580659

Structure Descriptors

InChI

1S/C17H14F3N3O3/c1-2-25-14(24)10-26-16-13-7-4-8-21-15(13)23(22-16)12-6-3-5-11(9-12)17(18,19)20/h3-9H,2,10H2,1H3

InChIKey

JGHXHFHJVYSBOU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 810mg/kg (810mg/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 800mg/kg (800mg/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.