Compound Summary
CHEMBL1868892
Compound Information
CHEMBL1868892
Compound Name: | CHEMBL1868892 |
Compound CID: | 17756971 |
Synonyms: | CHEMBL1868892 (+/-)-Metoprolol (+)-tartrate LP00728 NCGC00164790-01 More... |
Iupac Name: | (3S)-2,3-dihydroxybutanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
InChI: | InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2?/m..0/s1 |
InChIKey: | YGULWPYYGQCFMP-XRDDTGOUSA-N |
Canonical Smiles: | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O |
Isomeric Smiles: | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.[C@H](C(C(=O)O)O)(C(=O)O)O |
Molecular Weight: | 684.8 |
Molecular Formula: | C34H56N2O12 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
CHEMBL1868892
Molecular Weight: | 684.8 |
Molecular Formula: | C34H56N2O12 |
Hydrogen Bond Donor Count: | 8 |
Hydrogen Bond Acceptor Count: | 14 |
Rotatable Bond Count: | 21 |
Heavy Atom Count: | 48 |
Complexity: | 349 |
Synonyms
CHEMBL1868892
| CHEMBL1868892 | CHEMBL1868892 |
|---|---|
CHEMBL1868892 |
(+/-)-Metoprolol (+)-tartrate |
LP00728 |
NCGC00164790-01 |
Experimental Data
CHEMBL1868892
| 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 | 5.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
CHEMBL1868892
Statistics Data
CHEMBL1868892
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 5.000000000000000 | 1 | 1 |
Statistics Data Visualization
CHEMBL1868892
