Protheobromine
-
Protheobromine
structure -
-
CAS No:
50-39-5
-
Formula:
C10H14N4O3
-
Chemical Name:
Protheobromine
-
Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-1-(2-hydroxypropyl)-3,7-dimethyl-;Theobromine,1-(2-hydroxypropyl)-;3,7-Dihydro-1-(2-hydroxypropyl)-3,7-dimethyl-1H-purine-2,6-dione;Cordabromin;Cordaleromin;1-(β-Hydroxypropyl)theobromine;1-(2-Hydroxypropyl)theobromine;Protheobromine;TEBE;1-(2-Hydroxypropyl)-3,7-dimethylxanthine;Bonicor;Corodil;Pantobromina;Pro-Cor;Vascopil;Protheobromin;1-(2-Hydroxypropyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
-
CAS No:
Description
Protheobromine is an oxopurine.|Protheobromine is a derivative of the xanthine alkaloid theobromine with diuretic and vasodilating activity. Like other methylated xanthines, protheobromine causes diuresis, and acts as a stimulant and vasodilator.
Characteristics
78.7
-0.3
1.46g/cm3
141 °C
493.1ºC at 760mmHg
252ºC
1.664
LD50 s.c. in mice: 580 mg/kg (Taugner)
Safety Information
P273, P391, P501
H400
|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:238.24
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:238.10659032
Monoisotopic Mass:238.10659032
Topological Polar Surface Area:78.7
Heavy Atom Count:17
Complexity:348
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes