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Chemical structure of PPADS tetrasodium salt

GC16659

PPADS tetrasodium salt

Also known as tetrasodium;4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)-2-pyridinyl]diazenyl]benzene-1,3-disulfonate

PPADS tetrasodium salta is a non-selective P2X receptor antagonist

ChemicalCAS192575-19-2MW599.3FormulaC14H10N3Na4O12PS2
CAS number
192575-19-2
Molecular weight
599.3
Formula
C14H10N3Na4O12PS2
Solubility
≥ 19·45mg/mL in Water
InChIKey
KURWUCJJNVPCHT-UHFFFAOYSA-J
Catalogue number
GC16659
Brand
GLPBIO
Computed properties PubChem CID 135484645 · TPSA 278 Ų · H-bond donors 1 · H-bond acceptors 15
TPSA
278 Ų
H-bond donors
1
H-bond acceptors
15
Rotatable bonds
5
Heavy atoms
36

SMILES CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])COP(=O)([O-])[O-])C=O)O.[Na+].[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 135484645), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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