7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
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![7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/88322977d89e4446bba86f71f016232b.png "7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione")
7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
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CAS No:
35899-39-9
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Formula:
C19H25N5O5
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Chemical Name:
7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
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Synonyms:
Theophylline,7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl); 7-{3-[2-(3,5-dihydroxy-phenyl)-2-hydroxy-ethylamino]-butyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; D 4908; 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline; 7-(3-{[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino}butyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; 7-<3-<2-(3,5-Dihydroxyphenyl)-2-hydroxyethylamino>-butyl-(1)>theophyllin;Expand
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CAS No:
7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione Basic Attributes
403.43200
403.18556891 g/mol
Computed Properties
Molecular Weight:403.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:403.18556891
Monoisotopic Mass:403.18556891
Topological Polar Surface Area:131
Heavy Atom Count:29
Complexity:598
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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