Chemical structure of CAS 487-94-5

Indoxyl Sulfate

CAS No.487-94-5
MDL No.N/A
MFC8H7NO4S
MW213.21
InChI KeyBXFFHSIDQOFMLE-UHFFFAOYSA-N

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Product Information

Indoxyl sulfate is an aryl sulfate derived from indoxyl, with the hydroxyl hydrogen replaced by a sulfo group. It functions as a human metabolite, belongs to the indole class, and is a conjugate acid of indoxyl sulfate(1-).

CAS No.487-94-5
Product NameIndoxyl Sulfate
Heavy Atom Count14Rotatable Bond Count2
Atom Stereo Count0Bond Stereo Count0
HBA3HBD2
TPSA79.390 ŲCharge0
Exact Mass213.00958Complexity557.48
pKa4.180XLogP1.349