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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxyethyl)-8-((1-(hydroxymethyl)propyl)amino)-, (S)-
RN: 119324-86-6
InChIKey: GPEWINMGNPPOCM-QMMMGPOBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N5-O4

Molecular Weight

  • 311.3399
 
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Names and Synonyms

Synonym

  • (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxyethyl)-8-((1-(hydroxymethyl)propyl)amino)-, (S)-

Registry Numbers

CAS Registry Number

  • 119324-86-6

System Generated Number

  • 0119324866

Structure Descriptors

InChI

1S/C13H21N5O4/c1-4-8(7-20)14-12-15-10-9(18(12)5-6-19)11(21)17(3)13(22)16(10)2/h8,19-20H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1

InChIKey

GPEWINMGNPPOCM-QMMMGPOBSA-N

Smiles

CC[C@@H](CO)Nc1nc2c(n1CCO)c(=O)n(c(=O)n2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 1260mg/kg (1260mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 40, Pg. 321, 1988.