1-Methyluric acid
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1-Methyluric acid
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CAS No:
708-79-2
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Formula:
C6H6N4O3
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Chemical Name:
1-Methyluric acid
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Synonyms:
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1-methyl-;Uric acid,1-methyl-;7,9-Dihydro-1-methyl-1H-purine-2,6,8(3H)-trione;1-Methyluric acid;N1-Methyluric acid;1-Methyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione;1-Methyl-1H-purine-2,6,8(3H,7H,9H)-trione;1-Methyl-7,9-dihydro-3H-purine-2,6,8-trione
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CAS No:
Description
1-Methyluric acid acts on the urinary bladder mucosa and increases the blood glucose, insulin, triglyceride, and cholesterol levels.
Solid
1-methyluric acid is an oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by a methyl group at N-1. It is one of the metabolites of caffeine found in human urine. It has a role as a human xenobiotic metabolite and a mouse metabolite. It derives from a 7,9-dihydro-1H-purine-2,6,8(3H)-trione. It is a conjugate acid of a 1-methylurate anion.
Characteristics
103.51000
-0.6
Solid
1.73g/cm3
202-203 °C
315.51°C (rough estimate)
1.695
1.585g/L(temperature not stated)
Refrigerator
129.18 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Computed Properties
Molecular Weight:182.14
XLogP3:-0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:182.04399007
Monoisotopic Mass:182.04399007
Topological Polar Surface Area:90.5
Heavy Atom Count:13
Complexity:359
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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