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Substance Name: Pibutidine [INN]
RN: 103922-33-4
UNII: 4XRL9PL02Y
InChIKey: XMDYZASWLGWIPL-DJWKRKHSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-N4-O3

Molecular Weight

  • 356.4236
 
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Names and Synonyms

Name of Substance

  • Pibutidine [INN]

Synonyms

  • 1-Amino-2-(4-(4-(1-piperidinomethyl)pyridyl-2-oxy)-cis-2-butenylamino)-1-cyclobuten-3,4-dione
  • 3-Amino-4-(((Z)-4-((4-(piperidinomethyl)-2-pyridyl)oxy)-2-butenyl)amino)-3-cyclobutene-1,2-dione
  • Pibutidine
  • UNII-4XRL9PL02Y

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 103922-33-4

FDA UNII

  • 4XRL9PL02Y

System Generated Number

  • 0103922334

Structure Descriptors

InChI

1S/C19H24N4O3/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/b5-2-

InChIKey

XMDYZASWLGWIPL-DJWKRKHSSA-N

Smiles

c1cnc(cc1CN2CCCCC2)OC/C=C\CNc3c(c(=O)c3=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1500mg/kg (1500mg/kg)   United States Patent Document. Vol. #4710498,