7-[3-[4-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;4-methylbenzenesulfonic acid
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![7-[3-[4-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;4-methylbenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2b22f6990fe44e3eb0f5302150822f96.png "7-[3-[4-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;4-methylbenzenesulfonic acid")
7-[3-[4-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;4-methylbenzenesulfonic acid
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CAS No:
23238-19-9
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Formula:
C38H50N10O12S2
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Chemical Name:
7-[3-[4-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;4-methylbenzenesulfonic acid
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Synonyms:
23238-19-9;1,4-Piperazinediethanol, alpha,alpha'-bis(1,3-dimethyl-7-xanthinylmethyl)-, di-p-toluenesulfonate;DTXSID10945918;4-Methylbenzene-1-sulfonic acid--7,7'-[piperazine-1,4-diylbis(2-hydroxypropane-3,1-diyl)]bis(1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione) (2/1)
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CAS No:
7-[3-[4-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;4-methylbenzenesulfonic acid Basic Attributes
903.0 g/mol
902.30510942 g/mol
Computed Properties
Molecular Weight:903.0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:10
Exact Mass:902.30510942
Monoisotopic Mass:902.30510942
Topological Polar Surface Area:289
Heavy Atom Count:62
Complexity:1140
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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