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Substance Name: Adisne
RN: 5967-82-8
InChIKey: WVVNRCBCHVYSDW-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N4-O2.2C2-H7-N-O

Molecular Weight

  • 302.3328
 
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Names and Synonyms

Results Name

  • Adisne

Synonyms

  • Adisne
  • Ethanol, 2-amino-, compd. with theophylline (2:1)

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 2-aminoethanol (1:2) (9CI)
  • Ethanol, 2-amino-, compd. with 3,7-dihydro-1,3-dimethyl-1H-purinedione (2:1)
  • Theophylline, compd. with 2-aminoethanol (1:2)

Registry Numbers

CAS Registry Number

  • 5967-82-8

System Generated Number

  • 0005967828

Molecular Formulas

Molecular Formula

  • C7-H8-N4-O2.2C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C7-H8-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N4O2.2C2H7NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;2*3-1-2-4/h3H,1-2H3,(H,8,9);2*4H,1-3H2

InChIKey

WVVNRCBCHVYSDW-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.C(CO)N.C(CO)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 181mg/kg (181mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 649, 1954.