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Substance Name: IT 066
RN: 126463-66-9
UNII: IF88DF5F6V
InChIKey: ODBOENMSSFCACZ-PVOKDAACSA-N

Molecular Formula

  • C19-H24-N4-O3.Cl-H

Molecular Weight

  • 392.884
 
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Names and Synonyms

Name of Substance

  • IT 066

Synonyms

  • 3-Amino-4-(4-(4-(1-piperidinomethyl)-2-pyridyloxy)-2-butenylamino)-3-cyclobutene-1,2-dione (Z)
  • IT-066
  • UNII-IF88DF5F6V

Systematic Name

  • 3-Cyclobutene-1,2-dione, 3-amino-4-((4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)amino)-, monohydrochloride, (Z)-

Registry Numbers

CAS Registry Number

  • 126463-66-9

FDA UNII

  • IF88DF5F6V

System Generated Number

  • 0126463669

Molecular Formulas

Molecular Formula

  • C19-H24-N4-O3.Cl-H

Molecular Formula Fragments

  • C19-H24-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H24N4O3.ClH/c20-16-17(19(25)18(16)24)22-7-2-5-11-26-15-12-14(6-8-21-15)13-23-9-3-1-4-10-23;/h2,5-6,8,12,22H,1,3-4,7,9-11,13,20H2;1H/b5-2-;

InChIKey

ODBOENMSSFCACZ-PVOKDAACSA-N

Smiles

C1(C(C(=C1NC\C=C/COc1nccc(c1)CN1CCCCC1)N)=O)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 2gm/kg (2000mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 27, Pg. 331, 1999.
mouse LD50 intravenous 17500ug/kg (17.5mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 27, Pg. 315, 1999.
mouse LDLo oral 5gm/kg (5000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 27, Pg. 315, 1999.
rat LD50 intravenous 17500ug/kg (17.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 27, Pg. 315, 1999.
rat LDLo oral 5gm/kg (5000mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 27, Pg. 315, 1999.