Theobromine

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0531

CAS

83-67-0

Product Name

Theobromine

Structure

Product Details

Description

Theobromine is the primary alkaloid found in cocoa and chocolate. As a phosphodiesterase inhibitor, theobromine prevents the phosphodiesterase enzymes from converting the active cAMP to an inactive form.

Synonyms

1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-; 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-Dimethylxanthine; Diurobromine; NSC 5039; Santheose; SC 15090; Teobromin; Theosalvose; Theostene; Thesal

IUPAC Name

3,7-dimethylpurine-2,6-dione

Molecular Weight

180.16

Molecular Formula

C7H8N4O2

Canonical SMILES

CN1C=NC2=C1C(=O)NC(=O)N2C

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)

InChIKey

YAPQBXQYLJRXSA-UHFFFAOYSA-N

Boiling Point

Sublimes at 554-563 °F

Melting Point

357°C

Purity

>98%

Density

1.60±0.1 g/cm3

Solubility

Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

Appearance

White to Off-white Solid

Application

Ingredient of health care products.

Storage

Store at 2-8°C

EINECS

201-494-2

Form

Powder

MDL

MFCD00022830

Packaging

250 g

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