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Substance Name: TOE
RN: 29701-08-4
UNII: 69LH6U1N27
InChIKey: YSIIKGUQUONBTG-GNAZCLTHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N-O.C9-H10-N4-O4

Molecular Weight

  • 403.436
 
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Names and Synonyms

Results Name

  • TOE

Name of Substance

  • Ephedrine acefyllinate

Synonyms

  • EINECS 249-783-2
  • Ephedrine theophylline 7-acetate
  • Teofilino-7-octanefedryny
  • Teofilino-7-octanefedryny [Polish]
  • TOE
  • UNII-69LH6U1N27

Systematic Names

  • 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid,compound with (R-(R,S))-alpha-(1-(methylamino)ethyl)benzyl alcoho l (1:1)
  • Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with (-)-ephedrine (1:1)

Registry Numbers

CAS Registry Number

  • 29701-08-4

FDA UNII

  • 69LH6U1N27

System Generated Number

  • 0029701084

Molecular Formulas

Molecular Formula

  • C10-H15-N-O.C9-H10-N4-O4

Molecular Formula Fragments

  • C10-H15-N-O
  • C9-H10-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C10H15NO.C9H10N4O4/c1-8(11-2)10(12)9-6-4-3-5-7-9;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-8,10-12H,1-2H3;4H,3H2,1-2H3,(H,14,15)/t8-,10-;/m0./s1

InChIKey

YSIIKGUQUONBTG-GNAZCLTHSA-N

Smiles

c1([C@H]([C@@H](NC)C)O)ccccc1.c1(n(c2c(c(n1C)=O)n(cn2)CC(O)=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 780mg/kg (780mg/kg)   Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 22, Pg. 83, 1970.