Compound Summary
S(-)-Timolol maleate
Compound Information
S(-)-Timolol maleate
Compound Name: | S(-)-Timolol maleate |
Compound CID: | 5384192 |
Synonyms: | S(-)-Timolol maleate 57073-55-9 (+)-3-3-(tert-butylamino)-2-hydroxypropoxy-4-morpholino-1,2,5-thiadiazole maleate (Z)-but-2-enedioic acid;1-(tert-butylamino)-3-(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxypropan-2-ol rac Timolol Maleate More... |
Iupac Name: | (Z)-but-2-enedioic acid;1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
InChI: | InChI=1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
InChIKey: | WLRMANUAADYWEA-BTJKTKAUSA-N |
Canonical Smiles: | CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 432.5 |
Molecular Formula: | C17H28N4O7S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
S(-)-Timolol maleate
Molecular Weight: | 432.5 |
Molecular Formula: | C17H28N4O7S |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 29 |
Complexity: | 429 |
Synonyms
S(-)-Timolol maleate
| S(-)-Timolol maleate | S(-)-Timolol maleate |
|---|---|
S(-)-Timolol maleate |
57073-55-9 |
(+)-3-3-(tert-butylamino)-2-hydroxypropoxy-4-morpholino-1,2,5-thiadiazole maleate |
(Z)-but-2-enedioic acid;1-(tert-butylamino)-3-(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxypropan-2-ol |
rac Timolol Maleate |
SR-01000075294 |
dl-Timolol maleate |
EINECS 260-544-1 |
NSC 312896 |
Racemic Timolol Maleate |
(+-)-Timolol maleate |
SCHEMBL1588402 |
CHEMBL1556000 |
(S)-1-(1,1-Dimethylethyl) |
HMS3263N19 |
Tox21_501189 |
NSC312896 |
AKOS025397175 |
CCG-222493 |
LP01189 |
NSC-312896 |
3-(3-(tert-Butylamino)-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole monomaleate |
NCGC00094442-01 |
NCGC00094442-02 |
NCGC00261874-01 |
EU-0101189 |
T 6394 |
SR-01000075294-1 |
SR-01000075294-3 |
SR-01000075294-4 |
amino-3-4-(4-morpholinyl)-1,2,5-thiadiazol-3-yloxy-2-propanol maleate |
Experimental Data
S(-)-Timolol maleate
| 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 | -2.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
S(-)-Timolol maleate
Statistics Data
S(-)-Timolol maleate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.000000000000000 | 1 | 1 |
Statistics Data Visualization
S(-)-Timolol maleate
