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Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: StdInChI StdInChIKey. |
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| InChI = 1/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3 |
| InChI = 1/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3 |
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| InChIKey = SEIRRUDMPNNSCY-UHFFFAOYAX |
| InChIKey = SEIRRUDMPNNSCY-UHFFFAOYAX |
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| StdInChI = 1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3 |
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| StdInChIKey = SEIRRUDMPNNSCY-UHFFFAOYSA-N |
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| CASNo=5634-34-4 |
| CASNo=5634-34-4 |
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| PubChem=21850 |
| PubChem=21850 |
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Revision as of 11:56, 29 November 2010
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| Names | |
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| IUPAC name
1,3-dimethyl-7H-purine-2,6-dione : 2-amino-2-methylpropan-1-ol
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| Other names
Theophylline aminoisobutanol
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| Identifiers | |
3D model (JSmol)
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| ChemSpider | |
| ECHA InfoCard | 100.024.616 |
PubChem CID
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CompTox Dashboard (EPA)
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| Properties | |
| C11H19N5O3 | |
| Molar mass | 269.30 g/mol |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Ambuphylline (or bufylline) is a combination of theophylline and aminoisobutanol used as a bronchodilator.