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1-O-(2-{[3-(Hydroxymethyl)-2-methylphenyl]amino}benzoyl)hexopyranuronic acid
[CAS# 152832-29-6]

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Identification
Name 1-O-(2-{[3-(Hydroxymethyl)-2-methylphenyl]amino}benzoyl)hexopyranuronic acid
Synonyms 3-Hydroxymethyl Mefenamic Acid Acyl-¦Â-D-glucuronide; 3-HYDROXYMETHYL MEFENAMIC ACID ACYL-Î’-D-GLUCURONIDE
Molecular Structure CAS#: 152832-29-6, 1-O-(2-{[3-(Hydroxymethyl)-2-methylphenyl]amino}benzoyl)hexopyranuronic acid
Molecular Formula C21H23NO9
Molecular Weight 433.41
CAS Registry Number 152832-29-6
SMILES Cc1c(cccc1Nc2ccccc2C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)CO
InChI 1S/C21H23NO9/c1-10-11(9-23)5-4-8-13(10)22-14-7-3-2-6-12(14)20(29)31-21-17(26)15(24)16(25)18(30-21)19(27)28/h2-8,15-18,21-26H,9H2,1H3,(H,27,28)
InChIKey GQQNPPRHZMQONU-UHFFFAOYSA-N
Properties
Density 1.546g/cm3 (Cal.)
Boiling point 713.692°C at 760 mmHg (Cal.)
Flash point 385.427°C (Cal.)
Refractive index 1.68 (Cal.)
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List of Reports Available for 1-O-(2-{[3-(Hydroxymethyl)-2-methylphenyl]amino}benzoyl)hexopyranuronic acid
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