3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-(2-methylphenyl)indol-5-yl]oxyacetyl]oxyethyl-diethylazanium
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![3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-(2-methylphenyl)indol-5-yl]oxyacetyl]oxyethyl-diethylazanium structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c3e10d111a7f406bbb08612f9de5acba.png "3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-(2-methylphenyl)indol-5-yl]oxyacetyl]oxyethyl-diethylazanium")
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-(2-methylphenyl)indol-5-yl]oxyacetyl]oxyethyl-diethylazanium
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CAS No:
68360-95-2
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Formula:
C43H59N3O19
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Chemical Name:
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-(2-methylphenyl)indol-5-yl]oxyacetyl]oxyethyl-diethylazanium
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Synonyms:
1H-Indole-3-carboxylic acid, 5-(2-(2-(diethylamino)ethoxy)-2-oxoethoxy)-2-methyl-1-(2-methylphenyl)-, 2-(diethylamino)ethyl ester, dicitrate;68360-95-2;1-o-Tolyl-2-methyl-3-carboxyindolyl-5-hydroxyacetic acid bis-diethylaminoethyl ester dicitrate;DTXSID80218500
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CAS No:
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-(2-methylphenyl)indol-5-yl]oxyacetyl]oxyethyl-diethylazanium Basic Attributes
921.9 g/mol
921.37427666 g/mol
DTXSID80218500
Computed Properties
Molecular Weight:921.9
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:25
Exact Mass:921.37427666
Monoisotopic Mass:921.37427666
Topological Polar Surface Area:346
Heavy Atom Count:65
Complexity:984
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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