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1. 1,7-dimethylxanthine
1. 1,7-dimethylxanthine
2. 611-59-6
3. P-xanthine
4. 1h-purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-
5. 1,7-dimethyl-3h-purine-2,6-dione
6. 3,7-dihydro-1,7-dimethyl-1h-purine-2,6-dione
7. Xanthine, 1,7-dimethyl-
8. Caffeine Impurity F
9. 1,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
10. 1,7-dimethyl-xanthine
11. Chembl1158
12. Chebi:25858
13. Nsc-400018
14. Q3565y41v7
15. 1,7-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione
16. Einecs 210-271-9
17. Nsc 400018
18. Brn 0197907
19. Unii-q3565y41v7
20. Mfcd00005727
21. Paraxanthine(72%)
22. Spectrum2_001733
23. Spectrum3_000774
24. Spectrum4_001207
25. Spectrum5_001506
26. Lopac-d-5385
27. Paraxanthine [inci]
28. Dsstox_cid_30853
29. Dsstox_gsid_52281
30. Lopac0_000389
31. Bspbio_002448
32. Kbiogr_001614
33. 5-26-13-00554 (beilstein Handbook Reference)
34. Mls000859929
35. Divk1c_000081
36. Schembl232702
37. Spectrum2300170
38. Spbio_001806
39. Schembl4651937
40. Dtxsid2052281
41. Hms500e03
42. Kbio1_000081
43. Kbio3_001668
44. Ninds_000081
45. Hms2231k19
46. Hms3261m19
47. Hms3370a12
48. Zinc120234
49. Tox21_303803
50. Tox21_500389
51. Bdbm50042210
52. Ccg-39489
53. Nsc400018
54. 1,7-dimethylxanthine, ~98%, Solid
55. Akos015913484
56. Cs-w017214
57. Hy-w016498
58. Lp00389
59. Sdccgsbi-0050376.p003
60. 1,7-dimethylxanthine-[13c4,15n3]
61. Idi1_000081
62. Ncgc00015347-01
63. Ncgc00015347-02
64. Ncgc00015347-03
65. Ncgc00015347-04
66. Ncgc00015347-05
67. Ncgc00015347-06
68. Ncgc00015347-07
69. Ncgc00015347-09
70. Ncgc00093817-01
71. Ncgc00093817-02
72. Ncgc00093817-03
73. Ncgc00093817-04
74. Ncgc00261074-01
75. Ncgc00357087-01
76. As-64037
77. Caffeine Impurity F [ep Impurity]
78. Cas-611-59-6
79. Smr000326790
80. Db-005072
81. Eur J Pharmacol 179: 295 (1990)
82. 1h-purine-2, 3,7-dihydro-1,7-dimethyl-
83. 3-(4-methoxy-1-naphthyl)acrylicacid
84. D5696
85. Eu-0100389
86. Ft-0632550
87. Ft-0673516
88. D 5385
89. D94772
90. 1,7-dimethylxanthine 100 Microg/ml In Methanol
91. A853055
92. Q419223
93. Sr-01000075184
94. 1,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione #
95. 1,7-dimethylxanthine 100 Microg/ml In Acetonitrile
96. Sr-01000075184-1
97. Brd-k24084088-001-02-2
98. Brd-k24084088-001-06-3
99. Caffeine Monohydrate Impurity F [ep Impurity]
100. 1,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione (paraxanthine; 1,7-dimethylxanthine)
101. Paraxanthine Solution, 1.0 Mg/ml In Methanol, Ampule Of 1 Ml, Certified Reference Material
102. 1,7-dimethyl-3,7-dihydro- 1h-purine-2,6-dione (caffeine Impurity F), Pharmaceutical Secondary Standard; Certified Reference Material
| Molecular Weight | 180.16 g/mol |
|---|---|
| Molecular Formula | C7H8N4O2 |
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 180.06472551 g/mol |
| Monoisotopic Mass | 180.06472551 g/mol |
| Topological Polar Surface Area | 67.2 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 267 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently Bonded Unit Count | 1 |
Paraxanthine has known human metabolites that include 1,7-Dimethyluric acid and 1-Methylxanthine.
Paraxanthine is a known human metabolite of caffeine.
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560
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