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Zileuton β-D-glucuronide

CAS
141056-63-5
Catalog Number
ACM141056635
Category
Other Products
Molecular Weight
412.41
Molecular Formula
C17H20N2O8S

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Specification

Synonyms
1-O-[(Aminocarbonyl)(1-benzo[b]thien-2-ylethyl)amino]-β-D-glucopyranuronic Acid;
IUPAC Name
(2S,3S,4S,5R,6S)-6-[1-(1-benzothiophen-2-yl)ethyl-carbamoylamino]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES
CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChI Key
CYYKQHWQVGZJRJ-UPZRFPAJSA-N
Exact Mass
412.09400
H-Bond Acceptor
9
H-Bond Donor
5
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