1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,hydrochloride
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![1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,hydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f91eba022a424b888c8e5f6a0f78340c.png "1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,hydrochloride")
1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,hydrochloride
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CAS No:
52943-57-4
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Formula:
C18H32ClN5O2
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Chemical Name:
1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,hydrochloride
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Synonyms:
Theophylline,7-(2-((1,5-dimethylhexyl)methylamino)ethyl)-,monohydrochloride; 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline monohydrochloride; 1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione hydrochloride;
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CAS No:
1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,hydrochloride Basic Attributes
385.93200
385.2244530
Computed Properties
Molecular Weight:385.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:385.2244530
Monoisotopic Mass:385.2244530
Topological Polar Surface Area:61.7
Heavy Atom Count:26
Complexity:484
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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