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Substance Name: Ethylamine, N,N-dimethyl-2-((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, monohydrochloride
RN: 34580-72-8
InChIKey: IDXFIYKMQCYMHI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-F3-N4-O.Cl-H

Molecular Weight

  • 386.803
 
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Names and Synonyms

Synonym

  • ITF 1022

Systematic Name

  • Ethylamine, N,N-dimethyl-2-((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 34580-72-8

System Generated Number

  • 0034580728

Molecular Formulas

Molecular Formula

  • C17-H17-F3-N4-O.Cl-H

Molecular Formula Fragments

  • C17-H17-F3-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H17F3N4O.ClH/c1-23(2)9-10-25-16-14-7-4-8-21-15(14)24(22-16)13-6-3-5-12(11-13)17(18,19)20;/h3-8,11H,9-10H2,1-2H3;1H

InChIKey

IDXFIYKMQCYMHI-UHFFFAOYSA-N

Smiles

C(COc1nn(c2c1cccn2)c1cc(ccc1)C(F)(F)F)N(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 530mg/kg (530mg/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 1150mg/kg (1150mg/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 620mg/kg (620mg/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.