C7H8N4O2
180.16 g/mol
APIWarning
Theobromine
CAS83-67-0EC201-494-2
Category
API
Compound Class
Natural Product
Primary Use
Pharmaceutical Raw Material
Theobromine is a naturally occurring alkaloid found in cocoa beans, tea, and other plants. It is structurally related to caffeine and is primarily used as an active pharmaceutical ingredient in the manufacture of medications, particularly as a vasodilator and mild stimulant.
active pharmaceutical ingredientmedicationveterinary medication
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 83-67-0
Related Compounds
StrongSame Parent
Theobromine sodium salicylate
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ReferenceSame Category
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(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxy-2-butanyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-(D-phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
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ReferenceSame Category
Astragaloside A
CAS83207-58-3
pharmaceutical raw material
Safety Reference
Warning
H302Harmful if swallowed
H319Causes serious eye irritation
H351Suspected of causing cancer
H341Suspected of causing genetic defects
H360May damage fertility or the unborn child
H370Causes damage to organs
Identifiers
IUPAC Name
3,7-dimethylpurine-2,6-dione
InChIKey
YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES
CN1C=NC2=C1C(=O)NC(=O)N2C
Synonyms (43)
- Aminophylline EP ImpurityG
- Caffeine EP Impurity D; Pentoxifylline EP Impurity A; Theobromine
- Caffeine EP impurity D
- Theobromine, European Pharmacopoeia (EP)
- 3,7-Dimethyl-xanthin
- 3,7-Dimethylxanthine
- 3,7-dimethylpurine-2,6-dione
- 5-26-13-00553 (Beilstein)
- 7-Dimethylxanthine
- Diurobromine
- PENTOXIFYLLINE IMPURITY A
- Santheose
- THEOBROMINE [MART.]
- Teobromin
- Theobromin
- Theobromine (Standard)
- Theobromine (natural)
- Theobromine(20%)
- Theobromine, >=98.0% (HPLC)
- Theobrominum
- Theosalvose
- Theostene
- Thesal
- Thesodate
- Xantheose
- Xanthine, 3,7-dimethyl-
- theobromine