2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl pyridine-3-carboxylate;hydrate;trihydrochloride
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![2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl pyridine-3-carboxylate;hydrate;trihydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/73551a7620cb4cf29f2c02350e20f46f.png "2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl pyridine-3-carboxylate;hydrate;trihydrochloride")
2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl pyridine-3-carboxylate;hydrate;trihydrochloride
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CAS No:
2311824-71-0
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Formula:
C22H34Cl3N3O6
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Chemical Name:
2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl pyridine-3-carboxylate;hydrate;trihydrochloride
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Synonyms:
UNII-09BS7K75IX;09BS7K75IX;Ninerafaxstat trihydrochloride monohydrate;2311824-71-0;3-Pyridinecarboxylic acid, 2-(4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)ethyl ester, hydrochloride, hydrate (1:3:1)
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CAS No:
2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl pyridine-3-carboxylate;hydrate;trihydrochloride Basic Attributes
542.9 g/mol
541.151319 g/mol
Computed Properties
Molecular Weight:542.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:541.151319
Monoisotopic Mass:541.151319
Topological Polar Surface Area:74.4
Heavy Atom Count:34
Complexity:515
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes
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