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Home > Encyclopedia > Methyl 4,9-dihydro-β-hydroperoxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-3H-imidazo[1,2-a]purine-7-butanoate

Methyl 4,9-dihydro-β-hydroperoxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-3H-imidazo[1,2-a]purine-7-butanoate

Methyl 4,9-dihydro-β-hydroperoxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-3H-imidazo[1,2-a]purine-7-butanoate structure

Methyl 4,9-dihydro-β-hydroperoxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-3H-imidazo[1,2-a]purine-7-butanoate 

structure
  • CAS No:

    36238-44-5

  • Formula:

    C16H20N6O7

  • Chemical Name:

    Methyl 4,9-dihydro-β-hydroperoxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-3H-imidazo[1,2-a]purine-7-butanoate

  • Synonyms:

    3H-Imidazo[1,2-a]purine-7-butanoic acid,4,9-dihydro-β-hydroperoxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-,methyl ester;1H-Imidazo[1,2-a]purine-7-butanoic acid,4,9-dihydro-β-hydroperoxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-,methyl ester;Methyl 4,9-dihydro-β-hydroperoxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-3H-imidazo[1,2-a]purine-7-butanoate;Wybutoxine

Description

Wybutoxine is an alpha-amino acid ester.

Methyl 4,9-dihydro-β-hydroperoxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-3H-imidazo[1,2-a]purine-7-butanoate Basic Attributes

408.36600

408.37

Characteristics

165.56000

-0.27960

1.63g/cm3

1.69

Drug Information

peroxy-Y-base

Computed Properties

Molecular Weight:408.37
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:408.13934700
Monoisotopic Mass:408.13934700
Topological Polar Surface Area:161
Heavy Atom Count:29
Complexity:651
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Methyl 4,9-dihydro-β-hydroperoxy-α-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-3H-imidazo[1,2-a]purine-7-butanoate

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