2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
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![2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5ae1b89b5185487294d76d8e569926ed.png "2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine")
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
structure -
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CAS No:
14656-20-3
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Formula:
C29H33N5O5
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Chemical Name:
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
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Synonyms:
14656-20-3;9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate;9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-, 7-theophyllinylacetate;9-(2-(Dimethylamino)ethoxy)-9,10-dihydro-9,10-ethanoanthracene 7-theophyllinylacetate;DTXSID20932854;(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid--2-[(9,10-dihydro-9,10-ethanoanthracen-11-yl)oxy]-N,N-dimethylethan-1-amine (1/1)
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CAS No:
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine Basic Attributes
531.6 g/mol
531.24816917 g/mol
Computed Properties
Molecular Weight:531.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:531.24816917
Monoisotopic Mass:531.24816917
Topological Polar Surface Area:108
Heavy Atom Count:39
Complexity:743
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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