1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid
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![1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fae89b9d110b44a4a6cc9b067ca86d05.png "1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid")
1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid
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CAS No:
77605-75-5
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Formula:
C20H20ClNO8
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Chemical Name:
1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid
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Synonyms:
Tolfenamic Acid Acyl-|A-D-Glucuronide;DTXSID60858488;ZINC77319528;1-O-[2-(3-Chloro-2-methylanilino)benzoyl]-beta-D-glucopyranuronic acid;2-[(3-Chloro-2-methylphenyl)amino]benzoic acid beta-D-glucopyranuronosyl ester
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CAS No:
1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid Basic Attributes
437.8277
437.088
DTXSID60858488
1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid Use and Manufacturing
Tolfenamic Acid Acyl-β-D-Glucuronide is a metabolite of the non-steroidal anti-inflammatory drug Tolfenamic acid (T535300).
Computed Properties
Molecular Weight:437.8
XLogP3:3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:437.0877443
Monoisotopic Mass:437.0877443
Topological Polar Surface Area:146
Heavy Atom Count:30
Complexity:622
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid
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