atropine

AlkaPlorer ID: AK003843

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: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-hydroxy-2-phenylpropanoate

Structure

SMILES: CN1C2CCC1CC(OC(=O)[C@H](CO)C1=CC=CC=C1)C2

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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-/m1/s1

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InChIKey: RKUNBYITZUJHSG-LGGPCSOHSA-N

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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

Metabolism Information