5-(3-Hydroxy-1-cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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5-(3-Hydroxy-1-cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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CAS No:
427-29-2
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Formula:
C12H16N2O4
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Chemical Name:
5-(3-Hydroxy-1-cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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Synonyms:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(3-hydroxy-1-cyclohexen-1-yl)-1,5-dimethyl-;Barbituric acid,5-(3-hydroxy-1-cyclohexen-1-yl)-1,5-dimethyl-;5-(3-Hydroxy-1-cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;Hydroxyevipan;3′-Hydroxyhexobarbital;3′-Hydroxyhexobarbitone
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CAS No:
5-(3-Hydroxy-1-cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione Basic Attributes
252.27
252.27
Drug Information
3p-Hydroxy-hexobarbital has known human metabolites that include (2S,3S,4S,5R)-6-[3-(1,5-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)cyclohex-2-en-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
3'-hydroxyhexobarbital
Computed Properties
Molecular Weight:252.27
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:252.11100700
Monoisotopic Mass:252.11100700
Topological Polar Surface Area:86.7
Heavy Atom Count:18
Complexity:457
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5-(3-Hydroxy-1-cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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