Molecular Identity
Picosulfuric acid
[4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenyl] hydrogen sulfate
PubChem CID: 5243
2D Structure
Properties
C18H15NO8S2
Molecular Formula
437.40
Molecular Weight
g/mol
437.0239
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
157
TPSA
May have limited oral absorption
2
H-Bond Donors
9
H-Bond Acceptors
660
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)O)C3=CC=C(C=C3)OS(=O)(=O)OIsomeric SMILES
SMILES: C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)O)C3=CC=C(C=C3)OS(=O)(=O)OSynonyms(20)
Picosulfuric acidPicosulfate10040-34-3PicosulphateUNII-95D580798SPICOSULFATE [VANDF]95D580798SDTXSID70143251Phenol, 4,4'-(2-pyridinylmethylene)bis-, 1,1'-bis(hydrogen sulfate){4-[(pyridin-2-yl)[4-(sulfooxy)phenyl]methyl]phenyl}oxidanesulfonic acid(4-((pyridin-2-yl)(4-(sulfooxy)phenyl)methyl)phenyl)oxidanesulfonic acidRefChem:174170DTXCID3065742(Pyridin-2-ylmethylene)bis(4,1-phenylene) bis(hydrogen sulfate)sodium-picosulfate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Picosulfuric acid
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