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Structure
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| Relationships |
Total Number of functionally related protein(s) :
623
Total Number of Articles : 1216
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| PubChem |
2153
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| Molecular Formula |
C7H8N4O2 |
| SMILES |
CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| InChI |
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
| synonyms |
- theophylline
- 58-55-9
- 1,3-Dimethylxanthine
- Elixophyllin
- Theophylline anhydrous
- Theophyllin
- Theolair
- Nuelin
- Respbid
- Theocin
- Elixophylline
- Lanophyllin
- Pseudotheophylline
- Solosin
- Theovent
- Uniphyl
- Slo-phyllin
- Theo-dur
- Armophylline
- Liquophylline
- Parkophyllin
- Accurbron
- Aerolate
- Bronkodyl
- Doraphyllin
- Elixicon
- Maphylline
- Medaphyllin
- Optiphyllin
- Teofyllamin
Click to show/hide the synonyms
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| Properties |
| Property |
Value |
| MW |
180.16 g/mol |
| HBD |
1 |
| HBA |
3 |
| Rotatable Bond Count |
0 |
| Exact Mass |
180.06472551 g/mol |
| Monoisotopic Mass |
180.06472551 g/mol |
| Heavy Atom Count |
13 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
267 |
| xlogp |
0 |
| Topological Polar Surface Area |
69.3 |
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