1,3,7-Trimethyluric acid
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1,3,7-Trimethyluric acid
structure -
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CAS No:
5415-44-1
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Formula:
C8H10N4O3
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Chemical Name:
1,3,7-Trimethyluric acid
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Synonyms:
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1,3,7-trimethyl-;Uric acid,1,3,7-trimethyl-;7,9-Dihydro-1,3,7-trimethyl-1H-purine-2,6,8(3H)-trione;1,3,7-Trimethyluric acid;Ba 2753;NSC 11259;NSC 95858;1,3,7-Trimethyl-9H-purine-2,6,8-trione;1,3,7-Trimethyl-1H-purine-2,6,8(3H,7H,9H)-trione;7026-63-3
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CAS No:
Description
ChEBI: An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8, and the nitrogens at positions 1, 3, and 7 are substituted by methyl groups. It is a metabolite of caffeine.
Solid
1,3,7-trimethyluric acid is an oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8, and the nitrogens at positions 1, 3, and 7 are substituted by methyl groups. It is a metabolite of caffeine. It has a role as a human xenobiotic metabolite, a human blood serum metabolite, a mouse metabolite and a human urinary metabolite. It is a conjugate acid of a 1,3,7-trimethylurate.
1,3,7-Trimethyluric acid Basic Attributes
210.190
210.19
226-507-9
Z61UN6MHB7
95858|11259
DTXSID50202496
2933990090
Characteristics
81.79000
0.06
Solid
1.6±0.1 g/cm3
258-260 °C
476.7ºC at 760mmHg
242.1ºC
1.661
24mg/L(room temperature)
Drug Information
1,3,7-Trimethyluric acid is a known human metabolite of caffeine.
1,3,7-trimethylurate
Computed Properties
Molecular Weight:210.19
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:210.07529019
Monoisotopic Mass:210.07529019
Topological Polar Surface Area:73
Heavy Atom Count:15
Complexity:414
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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