Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H6N4O3 |
| Molecular Weight | 182.1368 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C(=O)NC2=C1C(=O)NC(=O)N2
InChI
InChIKey=YHNNPKUFPWLTOP-UHFFFAOYSA-N
InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)
| Molecular Formula | C6H6N4O3 |
| Molecular Weight | 182.1368 |
| 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 |
|---|---|---|
| Methylated purines in urinary stones. | 2005-08 |
|
| Catabolism of caffeine in plants and microorganisms. | 2004-05-01 |
|
| Use of novel solid-phase extraction sorbent materials for high-performance liquid chromatography quantitation of caffeine metabolism products methylxanthines and methyluric acids in samples of biological origin. | 2001-08-15 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:15:07 GMT 2025
by
admin
on
Mon Mar 31 19:15:07 GMT 2025
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| Record UNII |
0040741VCN
|
| Record Status |
Validated (UNII)
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| Record Version |
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612-37-3
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DTXSID40210106
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0040741VCN
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210-307-3
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69160
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admin on Mon Mar 31 19:15:07 GMT 2025 , Edited by admin on Mon Mar 31 19:15:07 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> METABOLITE |