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Diclofenac acyl-beta-D-glucuronide allyl ester

CAS
698358-10-0
Catalog Number
ACM698358100
Category
Other Products
Molecular Weight
512.34
Molecular Formula
C23H23Cl2NO8

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Specification

Synonyms
1-[2-[(2,6-Dichlorophenyl)amino]benzeneacetate]-β-D-glucopyranuronic Acid 2-Propen-1-yl Ester;
IUPAC Name
prop-2-enyl (3R,5R,6R)-6-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Canonical SMILES
C=CCOC(=O)C1C(C(C(C(O1)OC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl)O)O)O
InChI Key
WNQJKISLWOVAQH-FQXTYDLQSA-N
Appearance
Amorphous Solid
Exact Mass
511.08000
H-Bond Acceptor
9
H-Bond Donor
4
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