2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid
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![2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4eb997828a454df7b7051264d9f6d637.png "2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid")
2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid
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CAS No:
63077-40-7
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Formula:
C20H32N14O8S
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Chemical Name:
2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid
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Synonyms:
2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine; Theophylline,7-(2-guanidinoethyl)-,hemisulfate; 7-(2-Guanidinoethyl)theophylline hemisulfate;
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CAS No:
2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine,sulfuric acid Basic Attributes
628.62200
628.22482521
DTXSID20212406
Computed Properties
Molecular Weight:628.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:628.22482521
Monoisotopic Mass:628.22482521
Topological Polar Surface Area:329
Heavy Atom Count:43
Complexity:501
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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