7-[2-[bis(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;(2R,3R)-2,3-dihydroxybutanedioic acid
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![7-[2-[bis(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;(2R,3R)-2,3-dihydroxybutanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d5b89b747aec4326857448b4c05f5fe2.png "7-[2-[bis(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;(2R,3R)-2,3-dihydroxybutanedioic acid")
7-[2-[bis(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;(2R,3R)-2,3-dihydroxybutanedioic acid
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CAS No:
72061-62-2
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Formula:
C17H27N5O10
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Chemical Name:
7-[2-[bis(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;(2R,3R)-2,3-dihydroxybutanedioic acid
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Synonyms:
Vephylline - malate (1:1);72061-62-2;Vephylline-malate;Vephyllin;DTXSID90222395;1H-Purine-2,6-dione, 7-(2-(bis(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (salt)
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CAS No:
7-[2-[bis(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;(2R,3R)-2,3-dihydroxybutanedioic acid Basic Attributes
461.4 g/mol
461.17579208 g/mol
DTXSID90222395
Computed Properties
Molecular Weight:461.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:461.17579208
Monoisotopic Mass:461.17579208
Topological Polar Surface Area:217
Heavy Atom Count:32
Complexity:549
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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