Ppnds
Basic information
- CAS
1021868-77-8- Standard SMILES
Cc1nc(N=Nc2cc(S(=O)(=O)[O-])c3cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(COP(=O)([O-])[O-])c(C=O)c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
XHWIRFKQZFSILU-UHFFFAOYSA-J- Molecular formula
- C18H11N4Na4O14PS2
- Average molar mass
- 694.4 g/mol
- Monoisotopic mass
- 693.90415751
Names & identifiers
- Preferred name
- Ppnds
- IUPAC
- tetrasodium;3-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)-2-pyridinyl]diazenyl]-7-nitronaphthalene-1,5-disulfonate
- English name
- Pyridoxal-5'-phosphate-6-(2'-naphthylazo-6'-nitro-4',8'-disulfonate) tetrasodium salt
- Molecular formula
- C18H11N4Na4O14PS2
- Molecular weight
- 694.36
Names & synonyms
PPNDSPPNDS tetrasodium1021868-77-8Pyridoxal-5'-phosphate-6-(2'-naphthylazo-6'-nitro-4',8'-disulfonate) tetrasodium saltPPNDS tetrasodium; Pyridoxal-5'-phosphate-6-(2'-naphthylazo-6'-nitro-4',8'-disulfonate) tetrasodium salttetrasodium;3-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)pyridin-2-yl]diazenyl]-7-nitronaphthalene-1,5-disulfonateLopac-P-2738CHEMBL1256476CHEMBL1490919SCHEMBL29381820DTXSID301018099HMS3262L16
Show more names
PPNDS TETRASODIUM SALT
HMS3267N07Tox21_500937AKOS024456520CCG-208811LP00937NCGC00016190-01NCGC00016190-02NCGC00094243-01
Database identifiers
- CAS
1021868-77-8- PubChem CID
- 5311367
- DTXSID
DTXSID301018099- ChEMBL
Properties
Computed structural properties
- Topological polar surface area
- 324 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 5
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,170
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- solubility
- 2 O: · H2O: 38 mg/mL
- form
- solid
- color
- dark red
- Water Solubility
- 100 mM · Soluble to 100 mM in water
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesPPNDS is a potent and selective antagonist of the P2X1 receptor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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