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17338-96-4 | 1H-Purine-2,6-dione, 3,9-dihydro-8-methyl-
CAS No: 17338-96-4 Catalog No: AG001YUU MDL No:MFCD00042765
Product Description
Catalog Number:
AG001YUU
Chemical Name:
1H-Purine-2,6-dione, 3,9-dihydro-8-methyl-
CAS Number:
17338-96-4
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
MDL Number:
MFCD00042765
IUPAC Name:
8-methyl-3,7-dihydropurine-2,6-dione
InChI:
InChI=1S/C6H6N4O2/c1-2-7-3-4(8-2)9-6(12)10-5(3)11/h1H3,(H3,7,8,9,10,11,12)
InChI Key:
RTAPDZBZLSXHQQ-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(n1)c(=O)[nH]c(=O)[nH]2
EC Number:
241-362-1
NSC Number:
22739
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| The role of transmembrane segment TM3 in the xanthine permease XanQ of Escherichia coli. | The Journal of biological chemistry 20111111 |
| Cysteine-scanning analysis of helices TM8, TM9a, and TM9b and intervening loops in the YgfO xanthine permease: a carboxyl group is essential at ASP-276. | The Journal of biological chemistry 20101105 |
| Measurement of urinary oxypurinol by high performance liquid chromatography-tandem mass spectrometry. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100901 |
| Purine substrate recognition by the nucleobase-ascorbate transporter signature motif in the YgfO xanthine permease: ASN-325 binds and ALA-323 senses substrate. | The Journal of biological chemistry 20100618 |
| Cloning and functional characterization of two bacterial members of the NAT/NCS2 family in Escherichia coli. | Molecular membrane biology 20050101 |
| Inhibition of human CYP1A2 activity in vitro by methylxanthines: potent competitive inhibition by 8-phenyltheophylline. | Xenobiotica; the fate of foreign compounds in biological systems 20010301 |
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