Compound Summary
Compound Information
PPNDS
Compound Name: | PPNDS |
Compound CID: | 5311367 |
Synonyms: | PPNDS PPNDS tetrasodium 1021868-77-8 PPNDS tetrasodium; Pyridoxal-5-phosphate-6-(2-naphthylazo-6-nitro-4,8-disulfonate) tetrasodium salt tetrasodium;3-4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)pyridin-2-yldiazenyl-7-nitronaphthalene-1,5-disulfonate More... |
Iupac Name: | tetrasodium;3-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)pyridin-2-yl]diazenyl]-7-nitronaphthalene-1,5-disulfonate |
InChI: | InChI=1S/C18H15N4O14PS2.4Na/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35;;;;/h2-6,24H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35);;;;/q;4*+1/p-4 |
InChIKey: | XHWIRFKQZFSILU-UHFFFAOYSA-J |
Canonical Smiles: | CC1=C(C(=C(C(=N1)N=NC2=CC3=C(C=C(C=C3S(=O)(=O)[O-])[N+](=O)[O-])C(=C2)S(=O)(=O)[O-])COP(=O)([O-])[O-])C=O)O.[Na+].[Na+].[Na+].[Na+] |
Isomeric Smiles: | CC1=C(C(=C(C(=N1)N=NC2=CC3=C(C=C(C=C3S(=O)(=O)[O-])[N+](=O)[O-])C(=C2)S(=O)(=O)[O-])COP(=O)([O-])[O-])C=O)O.[Na+].[Na+].[Na+].[Na+] |
Molecular Weight: | 694.4 |
Molecular Formula: | C18H11N4Na4O14PS2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
PPNDS
Molecular Weight: | 694.4 |
Molecular Formula: | C18H11N4Na4O14PS2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 17 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 43 |
Complexity: | 1170 |
Synonyms
PPNDS
| PPNDS | PPNDS |
|---|---|
PPNDS |
PPNDS tetrasodium |
1021868-77-8 |
PPNDS tetrasodium; Pyridoxal-5-phosphate-6-(2-naphthylazo-6-nitro-4,8-disulfonate) tetrasodium salt |
tetrasodium;3-4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)pyridin-2-yldiazenyl-7-nitronaphthalene-1,5-disulfonate |
Pyridoxal-5-phosphate-6-(2-naphthylazo-6-nitro-4,8-disulfonate) tetrasodium salt |
Lopac-P-2738 |
CHEMBL1256476 |
CHEMBL1490919 |
DTXSID301018099 |
HMS3262L16 |
HMS3267N07 |
Tox21_500937 |
AKOS024456520 |
CCG-208811 |
LP00937 |
NCGC00016190-01 |
NCGC00016190-02 |
NCGC00094243-01 |
NCGC00261622-01 |
B6682 |
EU-0100937 |
P 2738 |
J-000645 |
Pyridoxal-5-phosphate-6-(2-naphthylazo-6-nitro-4,8-disulfonate) tetrasodium" |
Experimental Data
PPNDS
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 6 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
PPNDS
Statistics Data
PPNDS
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6 | 1 | 1 |
Statistics Data Visualization
PPNDS
