Compound Summary
Compound Information
Atropine methyl nitrate
Compound Name: | Atropine methyl nitrate |
Compound CID: | 5860 |
Synonyms: | Atropine methyl nitrate METHYLATROPINE NITRATE 52-88-0 (8,8-dimethyl-8-azoniabicyclo3.2.1octan-3-yl) 3-hydroxy-2-phenylpropanoate;nitrate SR-01000075181 More... |
Iupac Name: | (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;nitrate |
InChI: | InChI=1S/C18H26NO3.NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;2-1(3)4/h3-7,14-17,20H,8-12H2,1-2H3;/q+1;-1 |
InChIKey: | NEDVJZNVOSNSHF-UHFFFAOYSA-N |
Canonical Smiles: | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[N+](=O)([O-])[O-] |
Isomeric Smiles: | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[N+](=O)([O-])[O-] |
Molecular Weight: | 366.4 |
Molecular Formula: | C18H26N2O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Atropine methyl nitrate
Molecular Weight: | 366.4 |
Molecular Formula: | C18H26N2O6 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 26 |
Complexity: | 406 |
Synonyms
Atropine methyl nitrate
| Atropine methyl nitrate | Atropine methyl nitrate |
|---|---|
Atropine methyl nitrate |
METHYLATROPINE NITRATE |
52-88-0 |
(8,8-dimethyl-8-azoniabicyclo3.2.1octan-3-yl) 3-hydroxy-2-phenylpropanoate;nitrate |
SR-01000075181 |
AMN; Methylatropine nitrate |
CHEMBL1715737 |
SCHEMBL20798247 |
HMS1570D22 |
HMS2093J21 |
HMS3260K05 |
HMS3374J07 |
Pharmakon1600-01505445 |
Tox21_500052 |
NSC759122 |
AKOS024386981 |
CCG-213446 |
LP00052 |
MCULE-1521238572 |
NSC-759122 |
NCGC00016111-02 |
NCGC00093566-01 |
NCGC00260737-01 |
EU-0100052 |
ST51039050 |
A 0382 |
SR-01000075181-1 |
SR-01000075181-6 |
Experimental Data
Atropine methyl nitrate
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Atropine methyl nitrate
Statistics Data
Atropine methyl nitrate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
Atropine methyl nitrate
