7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]theophyline
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![7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]theophyline structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7dc60df3547f41cd906db4fad0f305f2.png "7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]theophyline")
7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]theophyline
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CAS No:
41760-38-7
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Formula:
C18H23N5O5
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Chemical Name:
7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]theophyline
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Synonyms:
D 1946;DTXSID00961965;7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)theophylline;Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-;7-(3-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-7H-purine-2,6-diol
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CAS No:
7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]theophyline Basic Attributes
389.41
361.138619 g/mol
Computed Properties
Molecular Weight:361.35
XLogP3:-0.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:361.13861872
Monoisotopic Mass:361.13861872
Topological Polar Surface Area:149
Heavy Atom Count:26
Complexity:521
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
7-[3-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]theophyline
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