1-Theobromineacetic Acid
Structural Formula Vector Image
Title: 1-Theobromineacetic Acid
CAS Registry Number: 5614-56-2
CAS Name: 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
Additional Names: 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
Molecular Formula: C9H10N4O4
Molecular Weight: 238.20
Percent Composition: C 45.38%, H 4.23%, N 23.52%, O 26.87%
Literature References: Prepd from sodium theobromine + chloroacetic acid: E. Merck et al., DE 352980 C.A. 17, 13071 (1923).
Properties: Crystals, mp 260°.
Melting point: mp 260°
 
Derivative Type: Sodium salt
CAS Registry Number: 32245-40-2
Additional Names: Sodium theobromine acetate
Trademarks: Técarine
Molecular Formula: C9H9N4NaO4
Molecular Weight: 260.18
Percent Composition: 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.
 
Therap-Cat: Bronchodilator.
Keywords: Bronchodilator; Xanthine Derivatives.

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