atropine
AlkaPlorer ID: AK003842
Synonym: '', 'L-Hyoscyamine', '3(S)-endo-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo3.2.1oct-3-yl ester', '(+-)-atropine', '(3-endo)-8-methyl-8-azabicyclo3.2.1oct-3-yl tropate', 'dl-Hyoscyamine', 'l-hyoscyamine', '8-methyl-8-azabicyclo3.2.1oct-3-yl tropate', 'MLS002222283', 'dl-tropyltropate', '(S)-(-)-hyoscyamine', 'MLS002153877', '(+,-)-tropyl tropate', 'hyoscyamine', 'Atropine', 'Duboisine', '(-)-hyoscyamine', '8-methyl-8-azabicyclo3.2.1oct-3-yl 3-hydroxy-2-phenylpropanoate', 'Atropine sulfate monohydrate', '(S)-atropine', 'Hyoscyamine', 'atropina', 'Atropin', '(-)-Hyoscyamine', 'Daturine', '(+-)-hyoscyamine', 'tropine, (-)-tropate', 'tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate', 'tropine tropate', '(-)-atropine', 'SMR001233231', '(1S,5R)-8-methyl-8-azabicyclo3.2.1oct-3-yl 3-hydroxy-2-phenyl-propanoate', 'L-Tropine tropate', 'L-Hyoscyamin'
IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
Structure
SMILES: CN1[C@@H]2CC[C@H]1CC(OC(=O)C(CO)C1=CC=CC=C1)C2
InChI: InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
InChIKey: RKUNBYITZUJHSG-PJPHBNEVSA-N
Reference
Composition of jimson weed (Datura stramonium) seeds
PubChem CID: 174174
CAS: 51-55-8
LOTUS: LTS0065918
NPASS: NPC209773
Source
Properties Information
Molecule Weight: 289.37500000000006
TPSA？: 49.77
MolLogP？: 1.9309
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | 6.07 | % | 10.6019/CHEMBL4513141 |
| Candida albicans | Candida albicans | Inhibition | 0.86 | % | 10.6019/CHEMBL4513141 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -0.25 | % | 10.6019/CHEMBL4513141 |
| Escherichia coli | Escherichia coli | Inhibition | -5.78 | % | 10.6019/CHEMBL4513141 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 9.61 | % | 10.6019/CHEMBL4513141 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 4.94 | % | 10.6019/CHEMBL4513141 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 1.53 | % | 10.6019/CHEMBL4513141 |