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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-((5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)methyl)-1,3-dimethyl-
RN: 88338-70-9
InChIKey: HUIROZYYQWTITH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N7-O3

Molecular Weight

  • 361.4037
 
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Names and Synonyms

Synonym

  • 7-((5-(2-diethylaminoethan-1-yl)-1,2,4-oxadiazol-3-yl)methyl)theophylline

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-((5-(2-(diethylamino)ethyl)-1,2,4-oxadiazol-3-yl)methyl)-1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 88338-70-9

System Generated Number

  • 0088338709

Structure Descriptors

InChI

1S/C16H23N7O3/c1-5-22(6-2)8-7-12-18-11(19-26-12)9-23-10-17-14-13(23)15(24)21(4)16(25)20(14)3/h10H,5-9H2,1-4H3

InChIKey

HUIROZYYQWTITH-UHFFFAOYSA-N

Smiles

c12c(c(=O)n(c(=O)n1C)C)n(cn2)Cc1nc(on1)CCN(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 215mg/kg (215mg/kg)   United States Patent Document. Vol. #4565817,
mouse LD50 oral 1405mg/kg (1405mg/kg)   United States Patent Document. Vol. #4565817,