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theobromine
Theobromine - definition from Biology-Online.org
[(Science: chemistry) An alkaloidal ureide, C7H8N4O2, homologous with and resembling caffeine, produced artificially, and also extracted from cacao and chocolate (from theobroma Cacao) as a bitter white crystalline substance. Synonym: dimethyl xanthine.
MediLexicon theobromine - Medical Dictionary Definition for Term 'theobromine'
[1. An alkaloid resembling caffeine and theophylline in its action and chemical structure, prepared from the dried ripe seed of Theobroma cacao or made synthetically; formerly used widely as a diuretic, myocardial stimulant, dilator of coronary arteries, and smooth muscle relaxant. Compounds with calcium gluconate, calcium salicylate, sodium acetate, sodium lactate, and sodium salicylate have been listed.
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pre_formula( "InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/f/h9H", "jqp028/5429.html" ); ?>
Molecular Formula:
C7H8N4O2
InChI: InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/f/h9H
InChIKey: InChIKey=YAPQBXQYLJRXSA-BGGKNDAXCS
SMILES: CN1C(=O)NC(=O)c2c1ncn2C
CAS number 83-67-0
Names:
KBioGR_000666
Theobromine
theobromine
3,7-dimethylpurine-2,6-dione
3,7-dimethylxanthine
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Registries:
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PubChem CID 5429
Beilstein =16464
CAS 83-67-0 (from NIST)
ChEBI 28946
Kegg C07480
PubChem ID 11373805
PubChem ID 9683
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