ID | 1256 |
Name | Atropine |
Pubchem ID | 656678 |
KEGG ID | D02069 |
Source | Atropa belladonna |
Type | Natural |
Function | Antimuscarinic |
Drug Like Properties | No |
Molecular Weight | 694.83 |
Exact mass | 694.313531 |
Molecular formula | C34H50N2O11S |
XlogP | N/A |
Topological Polar Surface Area | 175 |
H-Bond Donor | 5 |
H-Bond Acceptor | 13 |
Rotational Bond Count | 10 |
IUPAC Name | [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]3-hydroxy-2-phenylpropanoate; sulfuric acid; hydrate |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O |
Isomeric SMILE | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |