IUPAC name
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid
SMILES
OC(=O)C(CC(=O)N1CC2CCCCC2C1)CC1=CC=CC=C1
Compound class
Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins;
Therapeutic area
For the treatment of type 2 diabetes.
Common name
Mitiglinide
IUPAC name
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid
SMILES
OC(=O)C(CC(=O)N1CC2CCCCC2C1)CC1=CC=CC=C1
INCHI
InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)
FORMULA
C19H25NO3
Common name
Mitiglinide
IUPAC name
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid
Molecular weight
315.407
clogP
2.954
clogS
-2.896
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
57.61
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00240 | 2-methylpropanoic acid |
|
CC(C)C(=O)O | 0.0027 |
| FDBF01698 | 3-phenylpropanoic acid |
|
C(C(=O)O)Cc1ccccc1 | 0.0014 |
| FDBF02848 | 1-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]ethanone |
|
O=C(N1CC2C(C1)CCCC2)C | 0.0003 |
| FDBF02849 | (2R)-2-methyl-3-phenyl-propanoic acid |
|
c1(ccccc1)CC(C(=O)O)C | 0.0003 |
| FDBF02850 | (3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbaldehyde |
|
O=CN1CC2C(C1)CCCC2 | 0.0003 |
9 ,
1
