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Substance Name: ITF 1016
RN: 38357-93-6
InChIKey: GGMFMONFSMAPIB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-F3-N4-O.Cl-H

Molecular Weight

  • 454.9214
 
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Names and Synonyms

Results Name

  • ITF 1016

Synonym

  • ITF 1016

Systematic Name

  • 1H-Pyrazolo(3,4-b)pyridine, 3-(3-(hexahydro-1H-azepin-1-yl)propoxy)-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 38357-93-6

System Generated Number

  • 0038357936

Molecular Formulas

Molecular Formula

  • C22-H25-F3-N4-O.Cl-H

Molecular Formula Fragments

  • C22-H25-F3-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25F3N4O.ClH/c23-22(24,25)17-8-5-9-18(16-17)29-20-19(10-6-11-26-20)21(27-29)30-15-7-14-28-12-3-1-2-4-13-28;/h5-6,8-11,16H,1-4,7,12-15H2;1H

InChIKey

GGMFMONFSMAPIB-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)n2c3c(cccn3)c(n2)OCCCN4CCCCCC4)C(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 380mg/kg (380mg/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 750mg/kg (750mg/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 200mg/kg (200mg/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 780mg/kg (780mg/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.