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Substance Name: Theophylline, 8-isopropyl-
RN: 2850-40-0
InChIKey: NKNVOKGUNUZJFC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N4-O2

Molecular Weight

  • 222.2466
 
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Names and Synonyms

Synonyms

  • 8-Isopropyl theophylline
  • 8-Isopropyltheophylline
  • NSC 14303
  • Xanthine, 1,3-dimethyl-8-isopropyl-

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(1-methylethyl)- (9CI)
  • Theophylline, 8-isopropyl-

Registry Numbers

CAS Registry Number

  • 2850-40-0

System Generated Number

  • 0002850400

Structure Descriptors

InChI

1S/C10H14N4O2/c1-5(2)7-11-6-8(12-7)13(3)10(16)14(4)9(6)15/h5H,1-4H3,(H,11,12)

InChIKey

NKNVOKGUNUZJFC-UHFFFAOYSA-N

Smiles

CC(C)c1[nH]c2c(n1)n(c(=O)n(c2=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1202, 1971.