CAS
3700-96-7 Purity
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3700-96-7 Purity
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5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt
CAS
370100-64-4
Catalog Number
ACM370100644
Category
Other Products
Molecular Weight
444.59
Molecular Formula
C14H12BrClNO7Na
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Specification
Synonyms
370100-64-4, AKOS016010016, AK112888, 5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt trihydrate
IUPAC Name
sodium;(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate;trihydrate
Canonical SMILES
C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+]
InChI Key
KSEGXDRRKCCCGG-BTCNKGGSSA-M
EC Number
603-339-8
Exact Mass
442.93800
H-Bond Acceptor
10
H-Bond Donor
7
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3700-98-9 Purity
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3700-98-9 Purity
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