3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-1,2-dimethylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium
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![3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-1,2-dimethylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/362214ec06b14b0f8a89d731b049237f.png "3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-1,2-dimethylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium")
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-1,2-dimethylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium
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CAS No:
68360-93-0
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Formula:
C37H55N3O19
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Chemical Name:
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-1,2-dimethylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium
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Synonyms:
1H-Indole-3-carboxylic acid, 5-(2-(2-(diethylamino)ethoxy)-2-oxoethoxy)-1,2-dimethyl-, 2-(diethylamino)ethyl ester, dicitrate, hemihydrate;68360-93-0;1,2-Dimethyl-3-carboxyindolyl-5-hydroxyacetic acid bis-diethylaminoethyl ester dicitrate;DTXSID70218498
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CAS No:
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-1,2-dimethylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium Basic Attributes
845.8 g/mol
845.34297653 g/mol
DTXSID70218498
Computed Properties
Molecular Weight:845.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:24
Exact Mass:845.34297653
Monoisotopic Mass:845.34297653
Topological Polar Surface Area:346
Heavy Atom Count:59
Complexity:836
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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