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Substance Name: ITF 1018
RN: 34580-70-6
InChIKey: DWKPTKSRQULISV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-F3-N4-O.Cl-H

Molecular Weight

  • 426.868
 
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Names and Synonyms

Results Name

  • ITF 1018

Synonym

  • ITF 1018

Systematic Name

  • 1H-Pyrazolo(3,4-b)pyridine, 3-(2-(1-piperidinyl)ethoxy)-1-(3-(trifluoromethyl)phenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 34580-70-6

System Generated Number

  • 0034580706

Molecular Formulas

Molecular Formula

  • C20-H21-F3-N4-O.Cl-H

Molecular Formula Fragments

  • C20-H21-F3-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21F3N4O.ClH/c21-20(22,23)15-6-4-7-16(14-15)27-18-17(8-5-9-24-18)19(25-27)28-13-12-26-10-2-1-3-11-26;/h4-9,14H,1-3,10-13H2;1H

InChIKey

DWKPTKSRQULISV-UHFFFAOYSA-N

Smiles

c12c(cccn1)c(nn2c1cc(ccc1)C(F)(F)F)OCCN1CCCCC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 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.
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 > 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 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.