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> Main
CHEBI:75492 - 5-bromo-4-chloro-3-indolyl sulfate
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ChEBI Name
5-bromo-4-chloro-3-indolyl sulfate
ChEBI ID
CHEBI:75492
Definition
An aryl sulfate that is indoxyl sulfate in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H5BrClNO4S
Net Charge
0
Average Mass
326.55200
Monoisotopic Mass
324.88112
InChI
InChI=1S/C8H5BrClNO4S/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14/h1-3,11H,(H,12,13,14)
InChIKey
KZKSBQXQOQUOQO-UHFFFAOYSA-N
SMILES
OS(=O)(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12
ChEBI Ontology
Outgoing
5-bromo-4-chloro-3-indolyl sulfate (
CHEBI:75492
)
has functional parent
indoxyl (
CHEBI:17840
)
5-bromo-4-chloro-3-indolyl sulfate (
CHEBI:75492
)
is a
aryl sulfate (
CHEBI:37919
)
5-bromo-4-chloro-3-indolyl sulfate (
CHEBI:75492
)
is a
indoles (
CHEBI:24828
)
5-bromo-4-chloro-3-indolyl sulfate (
CHEBI:75492
)
is a
organobromine compound (
CHEBI:37141
)
5-bromo-4-chloro-3-indolyl sulfate (
CHEBI:75492
)
is a
organochlorine compound (
CHEBI:36683
)
IUPAC Name
5-bromo-4-chloro-1
H
-indol-3-yl hydrogen sulfate
Synonym
Source
5-bromo-4-chloroindoxyl sulfate
ChEBI
Registry Number
Type
Source
1544133
Reaxys Registry Number
Reaxys
Last Modified
06 September 2013