[5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate
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![[5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dde9aa06d5e646189637d8424fe3d65b.png "[5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate")
[5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate
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CAS No:
139995-67-8
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Formula:
C19H23ClNO3S+
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Chemical Name:
[5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate
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Synonyms:
((5-(2-chlorobenzyl-2-tert-butyloxycarbonyl))-4,5,6,7-tetrahydrothieno(3,2-c)pyridine)-N-oxide;SR 26831;SR-26831;SR 26831;139995-67-8;Thieno(3,2-c)pyridinium, 5-((2-chlorophenyl)methyl)-2-(2,2-dimethyl-1-oxopropoxy)-4,5,6,7-tetrahydro-5-hydroxy-;DTXSID50930686;((5-(2-Chlorobenzyl-2-tert-butyloxycarbonyl))-4,5,6,7-tetrahydrothieno(3,2-c)pyridine)-N-oxide;5-[(2-Chlorophenyl)methyl]-2-[(2,2-dimethylpropanoyl)oxy]-5-hydroxy-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium
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CAS No:
[5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate Basic Attributes
380.9 g/mol
380.1087175 g/mol
Drug Information
((5-(2-chlorobenzyl-2-tert-butyloxycarbonyl))-4,5,6,7-tetrahydrothieno(3,2-c)pyridine)-N-oxide
Computed Properties
Molecular Weight:380.9
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:380.1087175
Monoisotopic Mass:380.1087175
Topological Polar Surface Area:74.8
Heavy Atom Count:25
Formal Charge:1
Complexity:498
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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