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Substance Name: 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-N-(1,1-dimethyl-2-hydroxyethyl)-2,6-dioxo-
RN: 112767-69-8
InChIKey: ZIRMYHBWEAQYHK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-N5-O4

Molecular Weight

  • 309.3241
 
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Names and Synonyms

Synonym

  • 2-(N-(7-Theophyllineacetyl)-amino)-2-methyl-1-propanol

Systematic Name

  • 7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-N-(1,1-dimethyl-2-hydroxyethyl)-2,6-dioxo-

Registry Numbers

CAS Registry Number

  • 112767-69-8

System Generated Number

  • 0112767698

Structure Descriptors

InChI

1S/C13H19N5O4/c1-13(2,6-19)15-8(20)5-18-7-14-10-9(18)11(21)17(4)12(22)16(10)3/h7,19H,5-6H2,1-4H3,(H,15,20)

InChIKey

ZIRMYHBWEAQYHK-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CC(=O)NC(C)(C)CO)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3gm/kg (3000mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 39, Pg. 317, 1987.