Molecular Identity
Indoxyl sulfate
1H-indol-3-yl hydrogen sulfate
PubChem CID: 10258
Indoxyl sulfate is an aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group. It has a role as a human metabolite. It is a member of indoles and an aryl sulfate. It is functionally related to an indoxyl. It is a conjugate acid of an indoxyl sulfate(1-).
2D Structure
Properties
C8H7NO4S
Molecular Formula
213.21
Molecular Weight
g/mol
213.0096
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
87.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
297
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Indoxyl sulfate1H-indol-3-yl hydrogen sulfate487-94-53-Indoxyl sulfateIndol-3-yl sulfateindoxyl sulphate3-indolyl sulfateindoxyl-3-sulphate3-indolyl hydrogen sulfateIndoxyl sulfic acidindol-3-yl sulphateindol-3-yl hydrogen sulfateindol-3-ol1H-indol-3-yloxidanesulfonic acidKT0QA88913
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Indoxyl sulfate
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