Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H10N4O3 |
| Molecular Weight | 198.1793 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C=O)C1=C(N)N(C)C(=O)NC1=O
InChI
InChIKey=QIZKPABLZVWFOE-UHFFFAOYSA-N
InChI=1S/C7H10N4O3/c1-10(3-12)4-5(8)11(2)7(14)9-6(4)13/h3H,8H2,1-2H3,(H,9,13,14)
| Molecular Formula | C7H10N4O3 |
| Molecular Weight | 198.1793 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| In vivo and in vitro biotransformation of theobromine by phenobarbital- and 3-methylcholanthrene-inducible cytochrome P-450 monooxygenases in rat liver. Role of thiol compounds. | 1987-03-01 |
|
| Diet-induced alterations in theobromine disposition and toxicity in the rat. | 1986-07 |
|
| Influence of cimetidine, sulfinpyrazone, and cigarette smoking on theobromine metabolism in man. | 1985-09-01 |
|
| High levels of methylxanthines in chocolate do not alter theobromine disposition. | 1985-04 |
|
| Comparative theobromine metabolism in five mammalian species. | 1984-03-01 |
|
| Theobromine kinetics and metabolic disposition. | 1983-10 |
|
| Theobromine metabolism and pharmacokinetics in pregnant and nonpregnant Sprague-Dawley rats. | 1983-03-15 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:39:50 GMT 2025
by
admin
on
Mon Mar 31 19:39:50 GMT 2025
|
| Record UNII |
O0FN18378H
|
| Record Status |
Validated (UNII)
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| Record Version |
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92287
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DTXSID90878952
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33130-54-0
Created by
admin on Mon Mar 31 19:39:50 GMT 2025 , Edited by admin on Mon Mar 31 19:39:50 GMT 2025
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O0FN18378H
Created by
admin on Mon Mar 31 19:39:50 GMT 2025 , Edited by admin on Mon Mar 31 19:39:50 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
