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Substance Name: 1-Propanol, 3-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)
RN: 34580-73-9
InChIKey: CKSQKNFCWOAKOE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-F3-N3-O2

Molecular Weight

  • 337.3
 
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Names and Synonyms

Synonyms

  • 3-((1-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)propanol
  • BRN 0702822
  • ITF 1027

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 34580-73-9

System Generated Number

  • 0034580739

Structure Descriptors

InChI

1S/C16H14F3N3O2/c17-16(18,19)11-4-1-5-12(10-11)22-14-13(6-2-7-20-14)15(21-22)24-9-3-8-23/h1-2,4-7,10,23H,3,8-9H2

InChIKey

CKSQKNFCWOAKOE-UHFFFAOYSA-N

Smiles

C(CCOc1nn(c2c1cccn2)c1cc(ccc1)C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 550mg/kg (550mg/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 450mg/kg (450mg/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.