IUPAC name
2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
Compound class
Therapeutic area
For the treatment of functional bowel/irritable bowel syndrome
Common name
Dicyclomine
IUPAC name
2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
INCHI
InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
FORMULA
C19H35NO2
Common name
Dicyclomine
IUPAC name
2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
Molecular weight
309.487
clogP
4.262
clogS
-4.376
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
29.54
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF00355 | cyclohexane |
|
C1CCCCC1 | 0.0127 |
| FDBF01683 | 2-aminoethyl formate |
|
C(COC=O)N | 0.0027 |
| FDBF01821 | methyl cyclohexanecarboxylate |
|
C1(CCCCC1)C(=O)OC | 0.0003 |
| FDBF01822 | ethyl cyclohexanecarboxylate |
|
C1(CCCCC1)C(=O)OCC | 0.0003 |
10 ,
2
