Compound Summary
U-62066
Compound Information
U-62066
Compound Name: | U-62066 |
Compound CID: | 11957718 |
Synonyms: | U-62066 87151-85-7 Spiradoline mesylate salt CHEMBL1256770 SCHEMBL10655654 More... |
Iupac Name: | 2-(3,4-dichlorophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;methanesulfonic acid |
InChI: | InChI=1S/C22H30Cl2N2O2.CH4O3S/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26;1-5(2,3)4/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3;1H3,(H,2,3,4)/t19-,20-,22-;/m1./s1 |
InChIKey: | FHEZDPDAYTVKKG-XLTSWDRCSA-N |
Canonical Smiles: | CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl.CS(=O)(=O)O |
Isomeric Smiles: | CN([C@@H]1CC[C@]2(CCCO2)C[C@H]1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl.CS(=O)(=O)O |
Molecular Weight: | 521.5 |
Molecular Formula: | C23H34Cl2N2O5S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
U-62066
Molecular Weight: | 521.5 |
Molecular Formula: | C23H34Cl2N2O5S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 33 |
Complexity: | 649 |
Synonyms
U-62066
| U-62066 | U-62066 |
|---|---|
U-62066 |
87151-85-7 |
Spiradoline mesylate salt |
CHEMBL1256770 |
SCHEMBL10655654 |
HMS3263F14 |
Tox21_501226 |
MFCD00153876 |
CCG-222530 |
LP01226 |
NCGC00094468-01 |
NCGC00261911-01 |
EU-0101226 |
U-105 |
SR-01000075535 |
SR-01000075535-1 |
UNII-U4E85084FG component FHEZDPDAYTVKKG-XLTSWDRCSA-N |
(+/-)-(5alpha,7alpha,8beta)-3,4-Dichloro-N-methyl-N-7-(1-pyrrolidinyl)-1-oxaspiro4.5dec-8-ylbenzeneacetamide mesylate salt |
Experimental Data
U-62066
| 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
U-62066
Statistics Data
U-62066
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 2.000000000000000 | 1 | 1 |
Statistics Data Visualization
U-62066
