7H-Purine-7-propanesulfonic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with 3-(4-phenyl-1-piperazinyl)-1,2-propanediol (1:1)
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7H-Purine-7-propanesulfonic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with 3-(4-phenyl-1-piperazinyl)-1,2-propanediol (1:1)
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CAS No:
83742-47-6
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Formula:
C13H20N2O2.C10H14N4O5S
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Chemical Name:
7H-Purine-7-propanesulfonic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with 3-(4-phenyl-1-piperazinyl)-1,2-propanediol (1:1)
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Synonyms:
7H-Purine-7-propanesulfonic acid,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-,compd. with 3-(4-phenyl-1-piperazinyl)-1,2-propanediol (1:1);1,2-Propanediol,3-(4-phenyl-1-piperazinyl)-,mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulfonate) (salt)
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CAS No:
7H-Purine-7-propanesulfonic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with 3-(4-phenyl-1-piperazinyl)-1,2-propanediol (1:1) Basic Attributes
538.61700
538.22096862 g/mol
280-683-1
Computed Properties
Molecular Weight:538.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:538.22096862
Monoisotopic Mass:538.22096862
Topological Polar Surface Area:168
Heavy Atom Count:37
Complexity:728
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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