Npc209773
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
Molecular Identity
Npc209773
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
PubChem CID: 174174
Atropine is a racemate composed of equimolar concentrations of (S)- and (R)-atropine. It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae. It has a role as an antidote to sarin poisoning, a oneirogen, a bronchodilator agent, an anti-arrhythmia drug, a muscarinic antagonist, a parasympatholytic, a mydriatic agent, an anaesthesia adjuvant and a plant metabolite. It contains a (S)-atropine and a (R)-atropine.
2D Structure
Properties
C17H23NO3
Molecular Formula
289.40
Molecular Weight
g/mol
289.1678
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
49.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
353
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3Isomeric SMILES
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3Synonyms(20)
RefChem:1092872Npc209773ATROPINE51-55-8dl-HyoscyamineAtropenAtropinTropine tropatedl-TropyltropateAtropinolEyesulesIsopto-atropineTroyl tropateAtropinaAtropin-flexiolen
Data from PubChem (NCBI)
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