CAS
102619-80-7 Purity
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102619-80-7 Purity
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Bumetanide β-D-glucuronide
CAS
102623-14-3
Catalog Number
ACM102623143
Category
Other Products
Molecular Weight
540.54
Molecular Formula
C23H28N2O11S
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Specification
Synonyms
1-[3-(Aminosulfonyl)-5-(butylamino)-4-phenoxybenzoate]-β-D-glucopyranuronic Acid; Bumetanide Glucuronide;
IUPAC Name
(2S,3S,4S,5R,6S)-6-[3-(butylamino)-4-phenoxy-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES
CCCCNC1=C(C(=CC(=C1)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)S(=O)(=O)N)OC3=CC=CC=C3
InChI Key
MXEVQINQQGRZRQ-RZUKHUMYSA-N
Exact Mass
540.14100
H-Bond Acceptor
13
H-Bond Donor
6
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