(2S,3S,4S,5R,6S)-6-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3738c75c4b784baba4dd78ada9db5883.png "(2S,3S,4S,5R,6S)-6-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
73025-66-8
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Formula:
C18H24N2O9
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
tocainide carbamoyl O-beta-glucuronide;tocainide CBG;Tocainide cbg;73025-66-8;Tocainide carbamoyl O-beta-glucuronide;DTXSID90993795;[[[1-[[(2,6-Dimethylphenyl)amino]carbonyl]ethyl]amino]carbonyl]beta-D-glucopyranosiduronic acid;1-O-[({1-[(2,6-Dimethylphenyl)imino]-1-hydroxypropan-2-yl}imino)(hydroxy)methyl]hexopyranuronic acid;beta-D-Glucopyranuronic acid, 1-((2-((2,6-dimethylphenyl)amino)-1-methyl-2-oxoethyl)carbamate)
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CAS No:
(2S,3S,4S,5R,6S)-6-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]carbamoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
412.4 g/mol
412.14818035 g/mol
Computed Properties
Molecular Weight:412.4
XLogP3:0.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:412.14818035
Monoisotopic Mass:412.14818035
Topological Polar Surface Area:175
Heavy Atom Count:29
Complexity:606
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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