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Substance Name: KF 21213
RN: 155271-17-3
UNII: 7592W885MQ
InChIKey: SDHWMROLJYZHCX-CSKARUKUSA-N

Note

  • A CNS adenosine A(2A) receptor ligand.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N4-O3

Molecular Weight

  • 354.4078
 
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Names and Synonyms

Name of Substance

  • KF 21213

Synonyms

  • (E)-8-(4-Methoxy-2,3-dimethylstyryl)caffeine
  • 8-(2,3-Dimethyl-4-methoxystyryl)-1,3,7-trimethylxanthine
  • KF-21213
  • KF21213
  • UNII-7592W885MQ

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethyl-4-methoxyphenyl)ethenyl)-1,3,7-trimethyl-,(E)-

Registry Numbers

CAS Registry Number

  • 155271-17-3

FDA UNII

  • 7592W885MQ

System Generated Number

  • 0155271173

Structure Descriptors

InChI

1S/C19H22N4O3/c1-11-12(2)14(26-6)9-7-13(11)8-10-15-20-17-16(21(15)3)18(24)23(5)19(25)22(17)4/h7-10H,1-6H3/b10-8+

InChIKey

SDHWMROLJYZHCX-CSKARUKUSA-N

Smiles

Cc1c(c(ccc1/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3C)C)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,