benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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CAS No:
102288-42-6
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Formula:
C25H37N5O5
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Chemical Name:
benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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Synonyms:
1H-Purine-2,6-dione,7-[2-(benzoyloxy)-3-[bis(2-methylpropyl)amino]propyl]-3,7-dihydro-1,3-dimethyl; 7-(3-Diisobutylamino-2-benzoyloxypropyl)-theophyllin; 7-(2-benzoyloxy-3-diisobutylamino-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 7-(3'-Diisobutylamino-2'-benzoyloxypropyl)theophylline; 7-<2-Benzoyloxy-3-diisobutylamino-propyl>-theophyllin; Theophylline,7-[3-(diisobutylamino)-2-hydroxypropyl]-,benzoate (7CI);Expand
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CAS No:
benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Basic Attributes
487.59200
469.26890461
Computed Properties
Molecular Weight:469.6
XLogP3:3.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:469.26890461
Monoisotopic Mass:469.26890461
Topological Polar Surface Area:88
Heavy Atom Count:34
Complexity:714
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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