IUPAC name
(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium
SMILES
CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C
Compound class
Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds;
Therapeutic area
For the treatment of a wide range of gastrointestinal disorders, including such conditions as peptic ulcer, gastritis, hyperchlorhydria, functional diarrhea, irritable or spastic colon, pyloroduodenal irritability, pylorospasm, acute nonspecific gastroenteritis, biliary dyskinesia and chronic cholelithiasis, duodenitis, gastrointestinal spasm; it may also be used to treat genitourinary spasm.
Common name
Isopropamide
IUPAC name
(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium
SMILES
CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C
INCHI
InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1
FORMULA
C23H33N2O
Common name
Isopropamide
IUPAC name
(3-carbamoyl-3,3-diphenylpropyl)(methyl)bis(propan-2-yl)azanium
Molecular weight
353.521
clogP
1.755
clogS
-5.895
HBond Acceptor
1
HBond Donor
2
Total Polar
Surface Area
43.09
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00033 | butanamide |
|
NC(=O)CCC | 0.0062 |
| FDBF00193 | propylbenzene |
|
C(c1ccccc1)CC | 0.0186 |
| FDBF00597 | (2R)-2-phenylbutanamide |
|
c1(ccccc1)C(C(=O)N)CC | 0.0010 |
| FDBF00739 | N,N-dimethylpropan-2-amine |
|
N(C)(C)C(C)C | 0.0058 |
| FDBF01099 | 2,2-diphenylacetamide |
|
c1(ccccc1)C(c2ccccc2)C(=O)N | 0.0010 |
| FDBF03120 | (2S)-2-phenylpropanamide |
|
CC(c1ccccc1)C(=O)N | 0.0007 |
| FDBF03124 | 2,2-diphenylpropanamide |
|
CC(c1ccccc1)(C(=O)N)c2ccccc2 | 0.0007 |
