Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Pyrazolo(3,4-b)pyridine, 3-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-1-(3-(trifluoromethyl)phenyl)-, monohydrochloride
RN: 34580-69-3
InChIKey: OLMXMEBAUWGILT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-F3-N4-O.Cl-H

Molecular Weight

  • 440.895
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • ITF 1023

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 34580-69-3

System Generated Number

  • 0034580693

Molecular Formulas

Molecular Formula

  • C21-H23-F3-N4-O.Cl-H

Molecular Formula Fragments

  • C21-H23-F3-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23F3N4O.ClH/c22-21(23,24)16-7-5-8-17(15-16)28-19-18(9-6-10-25-19)20(26-28)29-14-13-27-11-3-1-2-4-12-27;/h5-10,15H,1-4,11-14H2;1H

InChIKey

OLMXMEBAUWGILT-UHFFFAOYSA-N

Smiles

c12c(cccn1)c(nn2c1cc(ccc1)C(F)(F)F)OCCN1CCCCCC1.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.