| Identification | Back Directory | [Name]
1,3-Dimethyluric acid-13C4,15N3 | [CAS]
1173019-16-3 | [Synonyms]
1,3-Dimethyluric acid-13C4,15N3
1,3-Dimethyluric acid-2,4,5,6-13C4-1,3,9-15N3 >=98 atom %, >=98% (CP) | [Molecular Formula]
C7H8N4O3 | [MDL Number]
MFCD11656116 | [MOL File]
1173019-16-3.mol | [Molecular Weight]
203.226 |
| Chemical Properties | Back Directory | [Melting point ]
>300 °C | [density ]
1.631±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | [storage temp. ]
-20°C | [form ]
powder | [InChI]
1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)/i3+1,4+1,5+1,7+1,9+1,10+1,11+1 | [InChIKey]
OTSBKHHWSQYEHK-JCRQFRHWSA-N | [SMILES]
C[15N]1[13C](=O)[15N](C)[13C]2=[13C](NC(=O)[15NH]2)[13C]1=O |
| Hazard Information | Back Directory | [Uses]
1,3-Dimethyluric acid-13C4,15N3 is the 13C-labeled and 15N-labeled 1,3-Dimethyluric acid. 1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi. | [References]
[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. DOI:10.1177/1060028018797110 |
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