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Substance Name: Theobromine magnesium oleate
RN: 6767-73-3
UNII: 3L7IL2RTM6
InChIKey: CMAIXUNGPMYEQR-XXAVUKJNSA-L

Molecular Formula

  • C25-H40-Mg-N4-O4

Molecular Weight

  • 484.92
 
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Names and Synonyms

Name of Substance

  • Theobromine magnesium oleate

Synonyms

  • Athemol
  • EINECS 229-826-1
  • Theobromine, oleic acid magnesium double salt
  • UNII-3L7IL2RTM6

Systematic Name

  • (3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dionato-N1)(oleato-O)magnesium

Registry Numbers

CAS Registry Number

  • 6767-73-3

FDA UNII

  • 3L7IL2RTM6

System Generated Number

  • 0006767733

Structure Descriptors

InChI

1S/C18H34O2.C7H8N4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,1-2H3,(H,9,12,13);/q;;+2/p-2/b10-9-;;

InChIKey

CMAIXUNGPMYEQR-XXAVUKJNSA-L

Smiles

CCCCCCCC/C=C\CCCCCCCC(=O)[O-].Cn1cnc2c1c(=O)[n-]c(=O)n2C.[Mg+2]