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Substance Name: 8-Phenyltheophylline
RN: 961-45-5
UNII: E6M543P3BL
InChIKey: PJFMAVHETLRJHJ-UHFFFAOYSA-N

Note

  • Purinergic P1 receptor antagonist.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N4-O2

Molecular Weight

  • 256.2638
 
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Names and Synonyms

Name of Substance

  • 8-Phenyltheophylline

Synonyms

  • 1,3-Dimethyl-8-phenylxanthine
  • 8-Phenyltheophylline
  • NSC 14127
  • Theophylline, 8-phenyl-
  • UNII-E6M543P3BL

Systematic Names

  • 1H-Purine-2,6-dione, 2,3,6,7-tetrahydro-1,3-dimethyl-8-phenyl-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-phenyl- (9CI)

Registry Numbers

CAS Registry Number

  • 961-45-5

FDA UNII

  • E6M543P3BL

System Generated Number

  • 0000961455

Structure Descriptors

InChI

1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)

InChIKey

PJFMAVHETLRJHJ-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 250mg/kg (250mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) United States Patent Document. Vol. #5032593,
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 152, 1954.