1-BUTYL-8-(HEXAHYDRO-2,5-METHANOPENTALEN-3A(1H)-YL)-3,7-DIHYDRO-3-(3-HYDROXYPROPYL)-1H-PURINE-2,6-DIONE
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1-BUTYL-8-(HEXAHYDRO-2,5-METHANOPENTALEN-3A(1H)-YL)-3,7-DIHYDRO-3-(3-HYDROXYPROPYL)-1H-PURINE-2,6-DIONE
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CAS No:
524944-72-7
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Formula:
C21H30N4O3
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Chemical Name:
1-BUTYL-8-(HEXAHYDRO-2,5-METHANOPENTALEN-3A(1H)-YL)-3,7-DIHYDRO-3-(3-HYDROXYPROPYL)-1H-PURINE-2,6-DIONE
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Synonyms:
PSB 36;1-BUTYL-8-(HEXAHYDRO-2,5-METHANOPENTALEN-3A(1H)-YL)-3,7-DIHYDRO-3-(3-HYDROXYPROPYL)-1H-PURINE-2,6-DIONE;1-Butyl-3-(3-hydroxypropyl)-8-(3-noradamantyl)xanthine;1-Butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-3-(3-hydroxypropyl)-1H-purine-2,6-dione
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CAS No:
1-BUTYL-8-(HEXAHYDRO-2,5-METHANOPENTALEN-3A(1H)-YL)-3,7-DIHYDRO-3-(3-HYDROXYPROPYL)-1H-PURINE-2,6-DIONE Basic Attributes
386.4879
386.232
DTXSID70470675
Computed Properties
Molecular Weight:386.5
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:386.23179083
Monoisotopic Mass:386.23179083
Topological Polar Surface Area:89.5
Heavy Atom Count:28
Complexity:642
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-BUTYL-8-(HEXAHYDRO-2,5-METHANOPENTALEN-3A(1H)-YL)-3,7-DIHYDRO-3-(3-HYDROXYPROPYL)-1H-PURINE-2,6-DIONE
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