7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1)
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![7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f7d65daab21443ef9910e2555d5793fa.png "7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1)")
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1)
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CAS No:
29701-08-4
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Formula:
C10H15NO.C9H10N4O4
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Chemical Name:
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1)
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Synonyms:
7H-Purine-7-acetic acid,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-,compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1);Purine-7-acetic acid,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-,compd. with (-)-ephedrine (1:1);Ephedrine,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetate (salt),(-)-;Benzenemethanol,α-[1-(methylamino)ethyl]-,[R-(R*,S*)]-,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate (salt);Ephedrine theophylline-7-acetate
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CAS No:
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1) Basic Attributes
403.4 g/mol
403.18556891 g/mol
249-783-2
69LH6U1N27
Computed Properties
Molecular Weight:403.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:403.18556891
Monoisotopic Mass:403.18556891
Topological Polar Surface Area:128
Heavy Atom Count:29
Complexity:506
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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