IUPAC name
(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one
SMILES
CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O
Compound class
Parasympathomimetics; Miotics; Muscarinic Agonists; Cholinergic Agents; Ophthalmologicals; Sensory Organs; Nervous System; Antiglaucoma Preparations and Miotics; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of radiation-induced dry mouth (xerostomia) and symptoms of dry mouth in patients with Sjögrens syndrome.
Common name
Pilocarpine
IUPAC name
(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one
SMILES
CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O
INCHI
InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
FORMULA
C11H16N2O2
Common name
Pilocarpine
IUPAC name
(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one
Molecular weight
208.257
clogP
1.634
clogS
-1.975
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
44.12
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00490 | 1-methylimidazole |
|
n1(ccnc1)C | 0.0058 |
| FDBF02447 | (4R)-4-methyltetrahydrofuran-2-one |
|
O1CC(CC1=O)C | 0.0003 |
| FDBF02448 | (3S)-3-ethyltetrahydrofuran-2-one |
|
O1CCC(C1=O)CC | 0.0003 |
| FDBF02449 | 1,5-dimethylimidazole |
|
n1(c(cnc1)C)C | 0.0003 |
| FDBF02450 | (3S,4R)-3-ethyl-4-methyl-tetrahydrofuran-2-one |
|
O1CC(C(C1=O)CC)C | 0.0003 |
| FDBF02451 | (4R)-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one |
|
O1CC(CC1=O)Cc2n(cnc2)C | 0.0003 |
| FDBF02452 | tetrahydrofuran-2-one |
|
O1CCCC1=O | 0.0010 |
