IUPAC name
3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidin-1-ium
SMILES
C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1
Compound class
Muscarinic Antagonists; Adjuvants, Anesthesia; Cholinergic Antagonists; Respiratory System; Drugs for Obstructive Airway Diseases; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Adrenergics, Inhalants; Anticholinergics;
Therapeutic area
For use as a preoperative antimuscarinic to reduce salivary, tracheobronchial, and pharyngeal secretions, to reduce the volume and free acidity of gastric secretions and to block cardiac vagal inhibitory reflexes during induction of anesthesia and intubation. Also used to treat chronic obstructive pulmonary disease (COPD).
Common name
Glycopyrrolate
IUPAC name
3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidin-1-ium
SMILES
C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1
INCHI
InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1
FORMULA
C19H28NO3
Common name
Glycopyrrolate
IUPAC name
3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidin-1-ium
Molecular weight
318.431
clogP
0.150
clogS
-3.649
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
46.53
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF02120 | cyclopentylmethanol |
|
C1(CCCC1)CO | 0.0010 |
| FDBF02226 | (R)-cyclopentyl(phenyl)methanol |
|
c1(ccccc1)C(C2CCCC2)O | 0.0003 |
| FDBF02227 | [(3S)-1,1-dimethyl-2,3,4,5-tetrahydropyrrol-3-yl] formate |
|
O(C=O)C1C[N](CC1)(C)C | 0.0003 |
