IUPAC name
4-{4-[(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoic acid
SMILES
OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
Compound class
Mast Cell Stabilizers;
Therapeutic area
For the symptomatic treatment of itchy eyes (caused by IgE-induced mast cell degranulation) due to allergic conjunctivitis.
Common name
Bepotastine
IUPAC name
4-{4-[(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoic acid
SMILES
OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
INCHI
InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)
FORMULA
C21H25ClN2O3
Common name
Bepotastine
IUPAC name
4-{4-[(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoic acid
Molecular weight
388.888
clogP
3.906
clogS
-4.749
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
62.66
Number of Rings
3
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00061 | butyric acid |
|
CCCC(=O)O | 0.0131 |
| FDBF00361 | 2-methylpyridine |
|
n1c(cccc1)C | 0.0058 |
| FDBF00671 | 1-ethylpiperidine |
|
N1(CCCCC1)CC | 0.0106 |
| FDBF01123 | piperidin-4-ol |
|
N1CCC(CC1)O | 0.0014 |
| FDBF01726 | 2-pyridylmethanol |
|
n1c(cccc1)CO | 0.0010 |
| FDBF02586 | 4-methoxy-1-methyl-piperidine |
|
COC1CCN(CC1)C | 0.0007 |
| FDBF03231 | 4-methoxypiperidine |
|
N1CCC(CC1)OC | 0.0003 |
| FDBF03234 | 2-[(1-methyl-4-piperidyl)oxymethyl]pyridine |
|
n1c(cccc1)COC2CCN(CC2)C | 0.0003 |
20 ,
3
