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Substance Name: 8-Pentyltheophylline
RN: 35873-41-7
InChIKey: KRQCFJVRGKISQO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N4-O2

Molecular Weight

  • 250.3002
 
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Names and Synonyms

Results Name

  • 8-Pentyltheophylline

Synonyms

  • 3,7-Dihydro-1,3-dimethyl-8-pentyl-1H-purine-2,6-dione
  • 8-Pentyltheophylline
  • BRN 0538445
  • Xanthine, 1,3-dimethyl-8-pentyl-

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 35873-41-7

System Generated Number

  • 0035873417

Structure Descriptors

InChI

1S/C12H18N4O2/c1-4-5-6-7-8-13-9-10(14-8)15(2)12(18)16(3)11(9)17/h4-7H2,1-3H3,(H,13,14)

InChIKey

KRQCFJVRGKISQO-UHFFFAOYSA-N

Smiles

CCCCCc1nc2N(C)C(=O)N(C)C(=O)c2[nH]1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1202, 1971.