7-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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![7-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e531919756ea47fda3fb77906cfb1978.png "7-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione")
7-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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CAS No:
19971-95-0
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Formula:
C21H27ClN6O3
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Chemical Name:
7-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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Synonyms:
Theophylline,7-(3-(4-(o-chlorobenzyl)-1-piperazinyl)-2-hydroxypropyl); 7-{3-[4-(2-chlorobenzyl)piperazin-1-yl]-2-hydroxypropyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; 7-{3-[4-(2-chloro-benzyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,3-dimethyl-3,7-dihydro-purine-2,6-dione;
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CAS No:
7-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Basic Attributes
446.93000
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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