Compound Summary
MRS 2159
Compound Information
MRS 2159
Compound Name: | MRS 2159 |
Compound CID: | 135484644 |
Synonyms: | MRS 2159 NCGC00016172-01 Lopac-M-7684 CHEMBL1257080 CHEMBL1316080 More... |
Iupac Name: | trisodium;[2-[(4-carboxyphenyl)diazenyl]-4-formyl-6-methyl-5-oxidopyridin-3-yl]methyl phosphate |
InChI: | InChI=1S/C15H14N3O8P.3Na/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22;;;/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25);;;/q;3*+1/p-3 |
InChIKey: | VCUDBCPCDKEAKO-UHFFFAOYSA-K |
Canonical Smiles: | CC1=C(C(=C(C(=N1)N=NC2=CC=C(C=C2)C(=O)O)COP(=O)([O-])[O-])C=O)[O-].[Na+].[Na+].[Na+] |
Isomeric Smiles: | CC1=C(C(=C(C(=N1)N=NC2=CC=C(C=C2)C(=O)O)COP(=O)([O-])[O-])C=O)[O-].[Na+].[Na+].[Na+] |
Molecular Weight: | 461.21 |
Molecular Formula: | C15H11N3Na3O8P |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
MRS 2159
Molecular Weight: | 461.21 |
Molecular Formula: | C15H11N3Na3O8P |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 11 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 30 |
Complexity: | 592 |
Synonyms
MRS 2159
| MRS 2159 | MRS 2159 |
|---|---|
MRS 2159 |
NCGC00016172-01 |
Lopac-M-7684 |
CHEMBL1257080 |
CHEMBL1316080 |
HMS3262K22 |
Tox21_500780 |
CCG-222084 |
LP00780 |
NCGC00016172-02 |
NCGC00094117-01 |
NCGC00261465-01 |
EU-0100780 |
M 7684 |
Experimental Data
MRS 2159
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 6.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
MRS 2159
Statistics Data
MRS 2159
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6.000000000000000 | 1 | 1 |
Statistics Data Visualization
MRS 2159
