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1173019-10-7

1173019-10-7 Structure

1173019-10-7 Structure
IdentificationBack Directory
[Name]

3-Methyluric acid-13C4,15N3
[CAS]

1173019-10-7
[Synonyms]

3-Methyluric acid-13C4,15N3
3-Methyluric acid-2,4,5,6-13C4, 1,3,9-15N3 >=98 atom %, >=98% (CP)
[Molecular Formula]

C6H6N4O3
[MDL Number]

MFCD11656114
[MOL File]

1173019-10-7.mol
[Molecular Weight]

189.2
Chemical PropertiesBack Directory
[Melting point ]

>300 °C
[density ]

1.734±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ]

-20°C
[form ]

powder
[InChI]

InChI=1S/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h1H3,(H2,7,8,12)(H,9,11,13)/i2+1,3+1,4+1,6+1,8+1,9+1,10+1
[InChIKey]

ODCYDGXXCHTFIR-BYSJPOJGSA-N
[SMILES]

[13C]12[15NH]C(N[13C]=1[13C]([15NH][13C](=O)[15N]2C)=O)=O
Safety DataBack Directory
[WGK Germany ]

WGK 2
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

3-Methyluric Acid-13C4,15N3 is the 13C and 15N labeled 3-Methyluric Acid[1].
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110
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