Compound Summary
(-)-Scopolamine,n-Butyl-, bromide
Compound Information
(-)-Scopolamine,n-Butyl-, bromide
Compound Name: | (-)-Scopolamine,n-Butyl-, bromide |
Compound CID: | 11957696 |
Synonyms: | (-)-Scopolamine,n-Butyl-, bromide Butylscopolamine bromide HMS3263M20 Tox21_501109 CCG-222413 More... |
Iupac Name: | (9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-3-hydroxy-2-phenylpropanoate;bromide |
InChI: | InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15?,16-,17?,18?,19?,20?,22?;/m1./s1 |
InChIKey: | HOZOZZFCZRXYEK-BITHUKPRSA-M |
Canonical Smiles: | CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] |
Isomeric Smiles: | CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-] |
Molecular Weight: | 440.4 |
Molecular Formula: | C21H30BrNO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(-)-Scopolamine,n-Butyl-, bromide
Molecular Weight: | 440.4 |
Molecular Formula: | C21H30BrNO4 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 27 |
Complexity: | 500 |
Synonyms
(-)-Scopolamine,n-Butyl-, bromide
| (-)-Scopolamine,n-Butyl-, bromide | (-)-Scopolamine,n-Butyl-, bromide |
|---|---|
(-)-Scopolamine,n-Butyl-, bromide |
Butylscopolamine bromide |
HMS3263M20 |
Tox21_501109 |
CCG-222413 |
LP01109 |
NCGC00261794-01 |
EU-0101109 |
S 7882 |
SR-01000075345 |
SR-01000075345-2 |
Experimental Data
(-)-Scopolamine,n-Butyl-, bromide
| 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 | -1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
(-)-Scopolamine,n-Butyl-, bromide
Statistics Data
(-)-Scopolamine,n-Butyl-, bromide
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
(-)-Scopolamine,n-Butyl-, bromide
