7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid
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![7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5e8a2e9e73a34aa4af758654da7a546e.png "7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid")
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid
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CAS No:
111298-53-4
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Formula:
C19H26N6O4
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Chemical Name:
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid
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Synonyms:
Theophylline,7-(2-(diethylamino)ethyl)-,nicotinate; Nicotate de diethylaminoethyltheophylline [French]; Nicotate de diethylaminoethyltheophylline; 7-(2-(Diethylamino)ethyl)theophylline nicotinate; 7-(2-diethylaminoethyl)-1,3-dimethylpurine-2,6-dione;
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CAS No:
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid Basic Attributes
402.44800
402.20155333
DTXSID80149582
Computed Properties
Molecular Weight:402.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:402.20155333
Monoisotopic Mass:402.20155333
Topological Polar Surface Area:112
Heavy Atom Count:29
Complexity:499
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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