Theobromine

≥98.0%

Sinônimo(s):

2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine

Empirical Formula (Hill Notation):

C₇H₈N₄O₂

Número CAS:

83-67-0

Peso molecular:

180.16

Beilstein:

16464

Número EC:

201-494-2

Número MDL:

MFCD00022830

ID de substância PubChem:

24277679

Nível de qualidade

200

Ensaio

≥98.0%

pf

345-350 °C

solubilidade

H₂O: slightly soluble
aqueous base: moderately soluble
ethanol: slightly soluble

SMILES string

[H]N1C(N(C)C2=C(N(C)C=N2)C1=O)=O

InChI

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

InChI key

YAPQBXQYLJRXSA-UHFFFAOYSA-N

Gene Information

human ... ADORA1(134) , ADORA2A(135) , ADORA2B(136) , ADORA3(140)
rat ... Adora1(29290)

Descrição geral

Theobromine is a methylxanthine alkaloid derivative, highly present in cocoa.[1]

Aplicação

Theobromine has been used:

to test in behavioural assay[2]

as a food or dietary supplement[3]

as a standard for theobromine quantification in brewed coffee samples[4]

Ações bioquímicas/fisiológicas

Theobromine possesses antitussive action and might be useful in treating acute and chronic cough.[1] It is a catabolic product of caffeine and shows antioxidant and prooxidant properties.[5]

Phosphosdiesterase inhibitor; weak adenosine receptor antagonist; diuretic; smooth muscle relaxant.

Características e benefícios

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Nota de preparo

Theobromine is moderately soluble in aqueous base and is slightly soluble in water and ethanol.