Compound Summary
ARL 67156 trisodium salt
Compound Information
ARL 67156 trisodium salt
Compound Name: | ARL 67156 trisodium salt |
Compound CID: | 11957464 |
Synonyms: | ARL 67156 trisodium salt FPL 67156 CHEMBL1318512 DTXSID001017961 HMS3260M20 More... |
Iupac Name: | trisodium;[dibromo-[[[(2R,3S,4R,5R)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]-hydroxyphosphinate |
InChI: | InChI=1S/C15H24Br2N5O12P3.3Na/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27;;;/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27);;;/q;3*+1/p-3/t8-,10-,11-,14-;;;/m1.../s1 |
InChIKey: | KJYSFRKUFDOOSQ-TZRPAKANSA-K |
Canonical Smiles: | CCN(CC)C1=NC=NC2=C1N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)(C(P(=O)(O)[O-])(Br)Br)[O-])O)O.[Na+].[Na+].[Na+] |
Isomeric Smiles: | CCN(CC)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(C(P(=O)(O)[O-])(Br)Br)[O-])O)O.[Na+].[Na+].[Na+] |
Molecular Weight: | 785.05 |
Molecular Formula: | C15H21Br2N5Na3O12P3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
ARL 67156 trisodium salt
Molecular Weight: | 785.05 |
Molecular Formula: | C15H21Br2N5Na3O12P3 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 16 |
Rotatable Bond Count: | 11 |
Heavy Atom Count: | 40 |
Complexity: | 941 |
Synonyms
ARL 67156 trisodium salt
| ARL 67156 trisodium salt | ARL 67156 trisodium salt |
|---|---|
ARL 67156 trisodium salt |
FPL 67156 |
CHEMBL1318512 |
DTXSID001017961 |
HMS3260M20 |
Tox21_500149 |
CCG-221453 |
LP00149 |
NCGC00093639-01 |
NCGC00260834-01 |
EU-0100149 |
J-009766 |
Experimental Data
ARL 67156 trisodium salt
| 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 | 8.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
ARL 67156 trisodium salt
Statistics Data
ARL 67156 trisodium salt
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 8.000000000000000 | 1 | 1 |
Statistics Data Visualization
ARL 67156 trisodium salt
