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Substance Name: 8-Propyltheophylline
RN: 2850-41-1
InChIKey: LMQXNURVVYWBSR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N4-O2

Molecular Weight

  • 222.2466
 
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Names and Synonyms

Results Name

  • 8-Propyltheophylline

Synonyms

  • 3,7-Dihydro-1,3-dimethyl-8-propyl-1H-purine-2,6-dione
  • 4-26-00-02475 (Beilstein Handbook Reference)
  • 8-n-Propyl theophylline
  • 8-Propyltheophylline
  • BRN 0218784
  • NSC 14304
  • Xanthine, 1,3-dimethyl-8-propyl-

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 2850-41-1

System Generated Number

  • 0002850411

Structure Descriptors

InChI

1S/C10H14N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4-5H2,1-3H3,(H,11,12)

InChIKey

LMQXNURVVYWBSR-UHFFFAOYSA-N

Smiles

CCCc1[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 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1202, 1971.