3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium
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![3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c9f50d946d9d4998a61a7564e993f9a1.png "3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium")
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium
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CAS No:
54451-30-8
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Formula:
C28H35ClN2O11
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Chemical Name:
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium
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Synonyms:
4-((2-(4-Chlorophenoxy)-1-oxopropyl)amino)benzoic acid 2-(diethylamino)ethyl ester citrate;Benzoic acid, 4-((2-(4-chlorophenoxy)-1-oxopropyl)amino)-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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CAS No:
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium Basic Attributes
611.0 g/mol
610.1929376 g/mol
Computed Properties
Molecular Weight:611.0
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:15
Exact Mass:610.1929376
Monoisotopic Mass:610.1929376
Topological Polar Surface Area:204
Heavy Atom Count:42
Complexity:747
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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