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4-Acetamidophenyl-triacetyl-β-D-glucuronic acid methyl ester-[d3]

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General Information
Catalog: BLP-012789
CAS: 1260619-58-6
Molecular Formula: C21H22D3NO11
Molecular Weight: 470.44

Chemical Structure

Description	4-Acetamidophenyl-triacetyl-β-D-glucuronic acid methyl ester-[d3] is the labelled analogue of 4-Acetamidophenyl-triacetyl-β-D-glucuronic acid methyl ester, which is an intermediate in the preparation of Acetaminophen metabolites.
Synonyms	4-Acetamidophenyl-d3-2,3,4-tri-O-acetyl-β-D-glucuronide, Methyl Ester; 4-(Acetylamino)phenyl-d3 β-D-Glucopyranosiduronic Acid Methyl Ester 2,3,4-Triacetate; p-Acetamidophenyl-d3 β-D-Glucopyranosiduronic Acid Methyl Ester 2,3,4-Triacetate
IUPAC Name	methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(2,2,2-trideuterioacetyl)amino]phenoxy]oxane-2-carboxylate
Related CAS	30824-21-6 (unlabelled)
Canonical SMILES	CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C21H25NO11/c1-10(23)22-14-6-8-15(9-7-14)32-21-19(31-13(4)26)17(30-12(3)25)16(29-11(2)24)18(33-21)20(27)28-5/h6-9,16-19,21H,1-5H3,(H,22,23)/t16-,17-,18-,19+,21+/m0/s1/i1D3
InChI Key	CGFRFKWGBUUPFU-MTSSNOLMSA-N
Purity	98%
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	Pale-Yellow Solid