Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isbufylline [INN]
RN: 90162-60-0
UNII: 9C8Z5F38D0
InChIKey: WHUWQSQEVISUMC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N4-O2

Molecular Weight

  • 236.2734
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Isbufylline
  • Isbufylline [INN]

Synonyms

  • 1,3-Dimethyl-7-isobutyl-xanthine
  • 3,7-Dihydro-1,3-dimethyl-7-(2-methylpropyl)-1H-purine-2,6-dione
  • Isbufilina
  • Isbufilina [INN-Spanish]
  • Isbufylline
  • Isbufyllinum
  • Isbufyllinum [INN-Latin]
  • Theophylline, 7-isobutyl-
  • UNII-9C8Z5F38D0

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-methylpropyl)-
  • 7-Isobutyltheophylline

Registry Numbers

CAS Registry Number

  • 90162-60-0

FDA UNII

  • 9C8Z5F38D0

System Generated Number

  • 0090162600

Structure Descriptors

InChI

1S/C11H16N4O2/c1-7(2)5-15-6-12-9-8(15)10(16)14(4)11(17)13(9)3/h6-7H,5H2,1-4H3

InChIKey

WHUWQSQEVISUMC-UHFFFAOYSA-N

Smiles

CC(C)Cn1cnc2c1c(=O)n(c(=O)n2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 129mg/kg (129mg/kg)   United States Patent Document. Vol. #4544556,
mouse LD50 oral 199mg/kg (199mg/kg)   United States Patent Document. Vol. #4544556,