7-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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![7-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/27b5b57bfcd2418e890b7df6ad9cb104.png "7-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione")
7-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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CAS No:
19972-01-1
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Formula:
C21H27ClN6O3
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Chemical Name:
7-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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Synonyms:
19972-01-1;BRN 1191940;Theophylline, 7-(3-(4-(m-chlorobenzyl)-1-piperazinyl)-2-hydroxypropyl)-;1-Piperazineethanol, 4-(m-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthinylmethyl)-;SCHEMBL684003;DTXSID70941890;7-(3-{4-[(3-Chlorophenyl)methyl]piperazin-1-yl}-2-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione;7-[3-[4-(3-Chlorobenzyl)-1-piperazinyl]-2-hydroxypropyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione
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CAS No:
7-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Basic Attributes
446.9 g/mol
446.1833164 g/mol
Computed Properties
Molecular Weight:446.9
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:446.1833164
Monoisotopic Mass:446.1833164
Topological Polar Surface Area:85.2
Heavy Atom Count:31
Complexity:661
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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