CAS 83-67-0

Theobromine

Description:

Theobromine is a naturally occurring alkaloid primarily found in cacao beans, tea leaves, and certain other plants. It is classified as a methylxanthine, which is a group of compounds that also includes caffeine and theophylline. Theobromine has a molecular formula of C7H8N4O2 and a molecular weight of approximately 180.17 g/mol. It is a white, odorless crystalline powder that is slightly soluble in water but more soluble in organic solvents. Theobromine exhibits mild stimulant properties, primarily affecting the central nervous system, and has been shown to have vasodilatory effects, which can lead to increased blood flow. Additionally, it has diuretic properties and may contribute to the relaxation of smooth muscles. While theobromine is generally safe for human consumption in moderate amounts, it can be toxic to certain animals, particularly dogs and cats, due to their slower metabolism of the compound. Its presence in chocolate products is often associated with the pleasurable effects of consuming chocolate.

Formula: C₇H₈N₄O₂

InChI: 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: InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N

SMILES: CN1C2=C(C(=O)NC1=O)N(C)C=N2

Synonyms:

• 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione
• 3,7-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
• 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
• 3,7-Dimethyl-3,7-dihydro-purine-2,6-dione
• 3,7-Dimethylpurine-2,6-dione
• 3,7-Dimethylxanthine
• Diurobromine
• Nsc 5039
• Purine(1H)-2,6-Dione, 3,7-Dihydro-3,7-Dimethyl-
• Santheose
• Sc 15090
• Teobromin
• Teobromina
• Theobromin
• Theobromine
• Theobromine (3,7-Dimexanthine)
• Theosalvose
• Theostene
• Thesal
• 1H-purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
• 83-67-0
• 201-494-2
• 5-26-13-00553 (Beilstein Handbook Reference)
• 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-

Theobromine

CAS: 83-67-0

Formula: C₇H₈N₄O₂

Purity: >98.0%(T)(HPLC)

Color and Shape: White to Light yellow to Light orange powder to crystal

Molecular weight: 180.17

Ref: 3B-T0178

Theobromine, 99%

CAS: 83-67-0

Phosphodiesterase inhibitor

Formula: C₇H₈N₄O₂

Purity: 99%

Color and Shape: Powder, White

Molecular weight: 180.17

Ref: 02-A11861

Theobromine

CAS: 83-67-0

Theobromine analytical standard provided with chromatographic purity, to be used as reference material for qualitative determination.

Formula: C₇H₈N₄O₂

Purity: (HPLC) ≥95%

Color and Shape: Powder

Molecular weight: 180.17

Ref: 11-0678

Theobromine 0.1 mg/ml in Methanol

CAS: 83-67-0

Color and Shape: Single Solution

Ref: 61-AMP0577.00-02

Theobromine

CAS: 83-67-0

Color and Shape: Neat

Ref: 61-FOR0577.00

Caffeine Related Compound D (3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione)

CAS: 83-67-0

Vegetable alkaloids, natural or reproduced by synthesis, their salts and other derivatives, nesoi

Formula: C₇H₈N₄O₂

Color and Shape: White Crystalline Powder

Molecular weight: 180.06473

Ref: 45-1086064

Theobromine

CAS: 83-67-0

Formula: C₇H₈N₄O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 180.1640

Ref: IN-DA008ILS

Theobromine, EP grade

CAS: 83-67-0

Formula: C₇H₈N₄O₂

Purity: 99.0 - 101.0 % (dried substance)

Color and Shape: White or almost white crystalline powder

Molecular weight: 180.17

Ref: 7W-GE9853

Theophylline-Ethylenediamine EP Impurity G (Pentoxifylline EP Impurity A, Caffeine EP Impurity D, Caffeine USP Related Compound D, Theobromine)

CAS: 83-67-0

Formula: C₇H₈N₄O₂

Color and Shape: Off-White Solid

Molecular weight: 180.17

Ref: 4Z-T-6022

Theobromine

CAS: 83-67-0

Theobromine

Purity: ≥98%

Molecular weight: 180.16g/mol

Ref: 54-BUP18690

Theobromine

Controlled Product

CAS: 83-67-0

Formula: C₇H₈N₄O₂

Color and Shape: Neat

Molecular weight: 180.16

Ref: 86-MM0577.00

Theobromine

CAS: 83-67-0

Formula: C₇H₈N₄O₂

Color and Shape: Neat

Molecular weight: 180.16

Ref: 04-C17445900

Theobromine

CAS: 83-67-0

Formula: C₇H₈N₄O₂

Purity: 95%~99%

Molecular weight: 180.167

Ref: BP-BP1389

Theobromine

CAS: 83-67-0

Formula: C₇H₈N₄O₂

Purity: ≥ 98.0%

Color and Shape: White to off-white powder

Molecular weight: 180.17

Ref: 7W-GE3548

Theobromine

CAS: 83-67-0

Natural alkaloid

Formula: C₇H₈N₄O₂

Purity: ≥ 98.0 % (HPLC)

Color and Shape: Powder

Molecular weight: 180.17

Ref: 5G-89808

Caffeine EP Impurity D

CAS: 83-67-0

Formula: C₇H₈N₄O₂

Molecular weight: 180.16

Ref: ST-EA-CP-C47004

Theobromine

CAS: 83-67-0

Theobromine (3,7-Dimethylxanthine), a xanthine alkaloid, is used as a bronchodilator and as a vasodilator.

Formula: C₇H₈N₄O₂

Purity: 99.69% - 99.91%

Color and Shape: White To Yellow Crystalline Powder

Molecular weight: 180.16

Ref: TM-T0625

Theobromine

Controlled Product

CAS: 83-67-0

Applications A metabolite of Caffeine.
References Suto, M., et al.: Anticancer Drug Des., 6, 107 (1991), Burkart, V., et al.: Nat. Med., 5, 314 (1999), Hassa, P., et al.: J. Biol. Chem., 278, 45145 2003), Veres, B., et al.: J. Pharmacol. Exp. Ther., 310, 247(2004),

Formula: C₇H₈N₄O₂

Color and Shape: Neat

Molecular weight: 180.16

Ref: TR-T343800

Theobromine

CAS: 83-67-0

Formula: C₇H₈N₄O₂

Ref: TR-TRC-T343800

Theobromine

Controlled Product

CAS: 83-67-0

Theobromine is a xanthine alkaloid that is found in the cocoa plant. It can be found in the blood, urine, and breast milk of humans and it is metabolized by liver enzymes. Theobromine has been shown to cause an increase in blood pressure in animals, but not humans. Theobromine has been shown to inhibit the activity of certain enzymes, including phosphodiesterase and adenosine deaminase. This drug also inhibits the activity of some cytochrome P450 enzymes. Theobromine has also been shown to have a diuretic effect on rat liver microsomes.

Formula: C₇H₈N₄O₂

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 180.16 g/mol

Ref: 3D-FT33795