Theobromine

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
  • Verification code
Online Inquiry
  • Verification code
×
Top
Inquiry Basket