1H-Purine-1-acetic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-, compd. with (1S,2R)-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1)
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1H-Purine-1-acetic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-, compd. with (1S,2R)-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1)
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CAS No:
52387-20-9
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Formula:
C22H29NO2.C9H10N4O4
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Chemical Name:
1H-Purine-1-acetic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-, compd. with (1S,2R)-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1)
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Synonyms:
1H-Purine-1-acetic acid,2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-,compd. with (1S,2R)-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1);1H-Purine-1-acetic acid,2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-,compd. with [S-(R*,S*)]-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1);Benzeneethanol,α-[2-(dimethylamino)-1-methylethyl]-α-phenyl-,propanoate (ester),[S-(R*,S*)]-,2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetate (salt);d-Propoxyphene 1-theobromineacetate
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CAS No:
1H-Purine-1-acetic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-, compd. with (1S,2R)-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1) Basic Attributes
577.7 g/mol
577.29003398 g/mol
Computed Properties
Molecular Weight:577.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:577.29003398
Monoisotopic Mass:577.29003398
Topological Polar Surface Area:125
Heavy Atom Count:42
Complexity:782
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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