9283. 1-Theobromineacetic Acid

Nomenclature

CAS number: 5614-56-2
2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid; 3,6-dihydro-3,7-dimethyl-2,6-dioxo-1(2H)-purineacetic acid; 3,6-dihydro-2,6-diketo-3,7-dimethyl-1(2)-purineacetic acid.
C9H10N4O4; mol wt 238.20.
C 45.38%, H 4.23%, N 23.52%, O 26.87%.

Description and references

Prepd from sodium theobromine + chloroacetic acid: E. Merck et al., DE 352980 C.A. 17, 13071 (1923).

Chemical structure

Properties

Crystals, mp 260°.

Derivative

Sodium salt.

Nomenclature

CAS number: 32245-40-2
Sodium theobromine acetate; Técarine.
C9H9N4NaO4; mol wt 260.18.
C 41.55%, H 3.49%, N 21.53%, Na 8.84%, O 24.60%.

Properties

Crystalline powder, freely sol in water, forming a neutral soln.

Therapeutic Category

Bronchodilator.

Keywords

Bronchodilator; Xanthine Derivatives