1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid

(2S,3S,4S,5R,6S)-6-[2-(3-carboxy-2-methylanilino)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: CM-Glucuronide|Carboxymefenamic acid glucuronide|3-Carboxy Mefenamic Acid Acyl-beta-D-glucuronide|3-Carboxy Mefenamic Acid Acyl-b-D-glucuronide|1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid|3-Carboxy Mefenamic Acid Acyl-?-D-glucuronide|3-Carboxy Mefenamic Acid Acyl-|A-D-glucuronide|3 -Carboxymethylmefenamic acid glucuronide|3-Carboxymefenamic acid-acyl-beta-D-glucuronide|3-Carboxy Mefenamic Acid Acyl- beta -D-glucuronide|(2S,3S,4S,5R,6S)-6-[2-(3-carboxy-2-methylanilino)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|3-CARBOXY MEFENAMIC ACID ACYL-.BETA.-D-GLUCURONIDE|1-O-[2-(3-Carboxy-2-methylanilino)benzoyl]hexopyranuronic acid|1-o-{2-[(3-carboxy-2-methylphenyl)amino]benzoyl}-|A-d-glucopyranuronic acid|1-[2-[(3-Carboxy-2-methylphenyl)amino]benzoate] b-D-Glucopyranuronic Aci|1-O-[2-(3-Carboxy-2-methylanilino)benzoyl]-beta-D-glucopyranuronic acid|2-[(3-Carboxy-2-methylphenyl)amino]benzoyl beta-D-glucopyranosiduronic acid|.BETA.-D-GLUCOPYRANURONIC ACID, 1-(2-((3-CARBOXY-2-METHYLPHENYL)AMINO)BENZOATE)|(2S,3S,4S,5R,6S)-6-((2-((3-Carboxy-2-methylphenyl)amino)benzoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid|(2S,3s,4s,5r,6s)-6-[2-[(3-carboxy-2-methylphenyl)amino]benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|(2S,3S,4S,5R,6S)-6-{2-[(3-CARBOXY-2-METHYLPHENYL)AMINO]BENZOYLOXY}-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID

Molecular Formula	C21H21NO10
Molecular Weight	447.11655 g/mol
LogP	1.9
Topological Polar Surface Area	183.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	447.11655
Monoisotopic Mass	447.11655
Heavy Atoms	32
Complexity	702.0

Chemical Identifiers

CAS Number	1859-41-2
SMILES	CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)O
InChIKey	QTCMFDMVQUHRND-QYRAFCHESA-N