IUPAC name
(1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate
SMILES
CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
Compound class
Hypnotics and Sedatives; Muscarinic Antagonists; Adjuvants, Anesthesia; Cholinergic Antagonists; Mydriatics; Adjuvants; Antispasmodics; Ophthalmologicals; Sensory Organs; Alimentary Tract and Metabolism; Nervous System; Psycholeptics; Anticholinergics; Antiemetics and Antinauseants; Mydriatics and Cycloplegics;
Therapeutic area
For the treatment of excessive salivation, colicky abdominal pain, bradycardia, sialorrhoea, diverticulitis, irritable bowel syndrome and motion sickness.
Common name
Scopolamine
IUPAC name
(1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate
SMILES
CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
INCHI
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1
FORMULA
C17H21NO4
Common name
Scopolamine
IUPAC name
(1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate
Molecular weight
303.353
clogP
1.493
clogS
-1.439
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
62.3
Number of Rings
4
Rotatable Bond
5
