3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol,dihydrochloride
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![3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol,dihydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fa118beb96964b16802e43deb964e4e7.png "3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol,dihydrochloride")
3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol,dihydrochloride
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CAS No:
37425-30-2
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Formula:
C20H26Cl2N6O4
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Chemical Name:
3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol,dihydrochloride
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Synonyms:
9H-Purine,9-(2,3-dihydroxypropyl)-6-(4-piperonyl-1-piperazinyl)-,dihydrochloride; 3-{6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9h-purin-9-yl}propane-1,2-diol dihydrochloride; (Piperonyl-4 piperazinyl-1)-6 (dihydroxy-2,3 propyl)-9 purine dichlorhydrate [French]; 9-(2,3-Dihydroxypropyl)-6-(4-piperonyl-1-piperazinyl)-9H-purine dihydrochloride;
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CAS No:
3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol,dihydrochloride Basic Attributes
485.36400
484.1392587 g/mol
Computed Properties
Molecular Weight:485.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:484.1392587
Monoisotopic Mass:484.1392587
Topological Polar Surface Area:109
Heavy Atom Count:32
Complexity:565
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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