Molecule

atropine

AlkaPlorer ID: AK003840

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: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate

Structure

SMILES: CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](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-/m1/s1

InChIKey: RKUNBYITZUJHSG-QKPAOTATSA-N

Reference

Translocation of alkaloids in <i>Datura</i> species

LOTUS: LTS0186016

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Duboisia myoporoides	Duboisia	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

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
None	NON-PROTEIN TARGET	Analgesic efficacy	None	None	10.1021/jm00037a022