1. 7-theophyllineacetic Acid
2. Acefylline, Sodium Salt
3. Acephylline
4. Theophylline-7-acetic Acid
1. 652-37-9
2. Theophylline-7-acetic Acid
3. Acephylline
4. Theophyllineacetic Acid
5. Carboxymethyltheophylline
6. Theophyllin-7-ylacetic Acid
7. 7-(carboxymethyl)theophylline
8. 7-theophyllineacetic Acid
9. 7-theophyllinylacetic Acid
10. 1,3-dimethylxanthine-7-acetic Acid
11. Nsc 52996
12. (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetic Acid
13. 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic Acid
14. Purine-7-acetic Acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
15. Caffeine Carboxylic Acid
16. 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1h-purin-7(6h)-yl)acetic Acid
17. Mfcd00022832
18. Nsc-52996
19. Doxophylline Metabolite M2
20. M494ue2yep
21. 7h-purine-7-acetic Acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
22. Chembl70246
23. 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetic Acid
24. 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-7-yl)acetic Acid
25. 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetic Acid
26. 7-theophyllinessigsaeure
27. 7-theophyllinylessigsaeure
28. Einecs 211-490-2
29. Unii-m494ue2yep
30. Brn 0279221
31. Acide Theophylline-ethanoique-7 [french]
32. Acide Theophylline-ethanoique-7
33. Acetyloxytheophylline
34. Aminodal (salt/mix)
35. Theophylline-acetic Acid
36. Acefylline [mi]
37. Acepifylline (salt/mix)
38. Theophylline 7-acetic Acid
39. Ec 211-490-2
40. 2-(p-chlorphenoxy)-2-methylpropyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetate
41. Acefylline [who-dd]
42. Dsstox_cid_31585
43. Dsstox_rid_97469
44. Dsstox_gsid_57796
45. Oprea1_398884
46. 5-26-14-00088 (beilstein Handbook Reference)
47. Mls001032052
48. Schembl308514
49. Lczc2430
50. Dtxsid6057796
51. Chebi:94615
52. Zinc57633
53. Hms3714e15
54. Hms3885c16
55. Acefylline Sodium Salt (salt/mix)
56. Hy-b1505
57. Nsc52996
58. Tox21_113765
59. Bbl027883
60. Bdbm50113248
61. Stk801809
62. 7h-purine-7-aceticacid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
63. Akos000120359
64. Caffeine Carboxylic Acid [inci]
65. Ccg-106578
66. Cs-7963
67. Db13573
68. Ncgc00253638-01
69. Cas-652-37-9
70. Smr000718632
71. Ts-00694
72. Db-054784
73. Ft-0632754
74. S3988
75. T2941
76. Theophylline-7-acetic Acid, >=99.0% (t)
77. A16822
78. D82360
79. A835035
80. Af-684/00246037
81. Sr-01000898401
82. 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic Acid
83. Q-201818
84. Q4673059
85. Sr-01000898401-2
86. F0849-4607
87. Z112207552
88. Acefylline;theophyllineacetic Acid; Theophylline-7-acetic Acid
89. Theophilline-7-acetic Acid (1,3-dimethylxantine-7-acetic Acid)
90. 7h-purine-7-acetic Acid,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
91. Purine-7-acetic Acid,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
92. (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetic Acid #
93. (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic Acid
94. 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetic A
95. 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)aceticacid
| Molecular Weight | 238.20 g/mol |
|---|---|
| Molecular Formula | C9H10N4O4 |
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.07020481 g/mol |
| Monoisotopic Mass | 238.07020481 g/mol |
| Topological Polar Surface Area | 95.7 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 385 |
| 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 |
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