Compound Summary
Cortexolone maleate
Compound Information
Cortexolone maleate
Compound Name: | Cortexolone maleate |
Compound CID: | 11957682 |
Synonyms: | Cortexolone maleate 390803-40-4 ST 148 N-(4-4-(2-methoxyphenyl)-piperazin-1-yl-butyl-5-(dimethylamino)-napthalene-1-sulfonamide maleate EU-0101046 More... |
Iupac Name: | (Z)-but-2-enedioic acid;5-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-1-sulfonamide |
InChI: | InChI=1S/C27H36N4O3S.C4H4O4/c1-29(2)24-13-8-11-23-22(24)10-9-15-27(23)35(32,33)28-16-6-7-17-30-18-20-31(21-19-30)25-12-4-5-14-26(25)34-3;5-3(6)1-2-4(7)8/h4-5,8-15,28H,6-7,16-21H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
InChIKey: | NMWGXMJVHMDGSA-BTJKTKAUSA-N |
Canonical Smiles: | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 612.7 |
Molecular Formula: | C31H40N4O7S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Cortexolone maleate
Molecular Weight: | 612.7 |
Molecular Formula: | C31H40N4O7S |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 11 |
Rotatable Bond Count: | 12 |
Heavy Atom Count: | 43 |
Complexity: | 854 |
Synonyms
Cortexolone maleate
| Cortexolone maleate | Cortexolone maleate |
|---|---|
Cortexolone maleate |
390803-40-4 |
ST 148 |
N-(4-4-(2-methoxyphenyl)-piperazin-1-yl-butyl-5-(dimethylamino)-napthalene-1-sulfonamide maleate |
EU-0101046 |
CHEMBL1554717 |
DTXSID501017423 |
NCGC00094331-01 |
S 1441 |
SR-01000076120 |
SR-01000076120-2 |
(Z)-but-2-enedioic acid;5-(dimethylamino)-N-4-4-(2-methoxyphenyl)piperazin-1-ylbutylnaphthalene-1-sulfonamide |
5-Dimethylamino-naphthalene-1-sulfonic acid {4-4-(2-methoxy-phenyl)-piperazin-1-yl-butyl}-amide maleate |
N-(4-4-(2-Methoxyphenyl)-piperazin-1-yl-butyl-5-(dimethylamino)-naphthalene-1-sulfonamide maleate |
Experimental Data
Cortexolone 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 | 11.000000000000000 | S | N2 | 24134630 | Active | ||||||
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 11.000000000000000 | S | N2 | 33683565 | Active |
Experimental Data Visualization
Cortexolone maleate
Statistics Data
Cortexolone maleate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 11.000000000000000 | 2 | 2 |
Statistics Data Visualization
Cortexolone maleate
