Compound Summary
(-)Scopolamine methyl nitrate
Compound Information
(-)Scopolamine methyl nitrate
Compound Name: | (-)Scopolamine methyl nitrate |
Compound CID: | 11957694 |
Synonyms: | (-)Scopolamine methyl nitrate (-)-Scopolamine methyl nitrate Hyoscine methyl nitrate SMR000875250 MLS001333214 More... |
Iupac Name: | (9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-3-hydroxy-2-phenylpropanoate;nitrate |
InChI: | InChI=1S/C18H24NO4.NO3/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-17,20H,8-10H2,1-2H3;/q+1;-1/t12?,13-,14?,15?,16?,17?;/m1./s1 |
InChIKey: | BSQIVYOSLFLSGE-UXXRHRDBSA-N |
Canonical Smiles: | C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[N+](=O)([O-])[O-] |
Isomeric Smiles: | C[N+]1(C2CC(CC1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[N+](=O)([O-])[O-] |
Molecular Weight: | 380.4 |
Molecular Formula: | C18H24N2O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(-)Scopolamine methyl nitrate
Molecular Weight: | 380.4 |
Molecular Formula: | C18H24N2O7 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 27 |
Complexity: | 472 |
Synonyms
(-)Scopolamine methyl nitrate
| (-)Scopolamine methyl nitrate | (-)Scopolamine methyl nitrate |
|---|---|
(-)Scopolamine methyl nitrate |
(-)-Scopolamine methyl nitrate |
Hyoscine methyl nitrate |
SMR000875250 |
MLS001333214 |
MLS002153243 |
(--)scopolamine methyl nitrate |
CHEMBL1881504 |
HMS2233D09 |
HMS3263M14 |
Tox21_501106 |
AKOS025295533 |
CCG-222410 |
LP01106 |
NCGC00261791-01 |
EU-0101106 |
S 2250 |
Experimental Data
(-)Scopolamine methyl nitrate
| 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 | 3.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
(-)Scopolamine methyl nitrate
Statistics Data
(-)Scopolamine methyl nitrate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 3.000000000000000 | 1 | 1 |
Statistics Data Visualization
(-)Scopolamine methyl nitrate
