3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridinylmethyl)-1H-purine-2,6-dione
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3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridinylmethyl)-1H-purine-2,6-dione
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CAS No:
28345-96-2
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Formula:
C15H17N5O3
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Chemical Name:
3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridinylmethyl)-1H-purine-2,6-dione
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Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridinylmethyl)-;Theophylline,7-(2-hydroxyethyl)-8-(3-pyridylmethyl)-;3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridinylmethyl)-1H-purine-2,6-dione;7-(2-Hydroxyethyl)-8-(3-pyridylmethyl)theophylline;7-(β-Hydroxyethyl)-8-(3′-pyridylmethyl)theophylline
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CAS No:
3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-8-(3-pyridinylmethyl)-1H-purine-2,6-dione Basic Attributes
315.33 g/mol
315.33
DTXSID10182588
Computed Properties
Molecular Weight:315.33
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:315.13313942
Monoisotopic Mass:315.13313942
Topological Polar Surface Area:91.6
Heavy Atom Count:23
Complexity:474
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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