6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide
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![6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/17e04aae697d4da5b317d6649fae9de1.png "6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide")
6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide
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CAS No:
83086-14-0
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Formula:
C22H27F3N2O4
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Chemical Name:
6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide
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Synonyms:
6-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)-N-(4-(trifluoromethyl)phenyl)heptanamide;Ro 17-2218;Ro 17-2218, (R-(R*,R*))-isomer;Ro 17-2218, (R-(R*,S*))-isomer;Ro 17-2218, (S-(R*,R*))-isomer;Ro 17-2218, 3H-labeled;Ro 17-2218, monohydrochloride;Ro 17-2218, phosphate (1:1);Ro 17-8648;83086-14-0;6-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)-N-(4-(trifluoromethyl)phenyl)heptanamide;6-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}-n-[4-(trifluoromethyl)phenyl]heptanamide;Ro 17-2218;Ro 17-8648;SCHEMBL9970988;CHEMBL1180991;DTXSID101003109;6-[2-Hydroxy-2-(3,4-dihydroxyphenyl)ethylamino]-N-(4-trifluoromethylphenyl)heptanamide;Heptanamide, 6-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)-N-(4-(trifluoromethyl)phenyl)-
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CAS No:
6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide Basic Attributes
440.5 g/mol
440.19229183 g/mol
Drug Information
6-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)-N-(4-(trifluoromethyl)phenyl)heptanamide
Computed Properties
Molecular Weight:440.5
XLogP3:3.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:440.19229183
Monoisotopic Mass:440.19229183
Topological Polar Surface Area:102
Heavy Atom Count:31
Complexity:541
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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