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Substance Name: Teasuprine
RN: 60640-79-1
InChIKey: NLDJGIDWOVFPSS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-N4-O4.C18-H23-N-O3

Molecular Weight

  • 539.5857
 
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Names and Synonyms

Results Name

  • Teasuprine

Synonyms

  • 4-Hydroxy-N-(1-methyl-2-phenoxyethyl)norephedrine 7-theophyline acetate
  • Teasuprine
  • TI-72

Systematic Name

  • Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 4-hydroxy-alpha-(1-(1-methyl-2-phenoxyethyl)aminoethyl)benzyl alcohol salt

Registry Numbers

CAS Registry Number

  • 60640-79-1

System Generated Number

  • 0060640791

Molecular Formulas

Molecular Formula

  • C9-H10-N4-O4.C18-H23-N-O3

Molecular Formula Fragments

  • C18-H23-N-O3
  • C9-H10-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NO3.C9H10N4O4/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-11,13-14,18-21H,12H2,1-2H3;4H,3H2,1-2H3,(H,14,15)

InChIKey

NLDJGIDWOVFPSS-UHFFFAOYSA-N

Smiles

CC(COc1ccccc1)NC(C)C(c2ccc(cc2)O)O.Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 72mg/kg (72mg/kg)   Drugs of the Future. Vol. 2, Pg. 271, 1977.
mouse LD50 oral 680mg/kg (680mg/kg)   Drugs of the Future. Vol. 2, Pg. 271, 1977.
rabbit LD50 oral > 1gm/kg (1000mg/kg)   Drugs of the Future. Vol. 2, Pg. 271, 1977.