IUPAC name
2-(dimethylamino)ethyl 4-(butylamino)benzoate
SMILES
CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
Compound class
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Dermatologicals; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Esters of Aminobenzoic Acid;
Therapeutic area
Common name
Tetracaine
IUPAC name
2-(dimethylamino)ethyl 4-(butylamino)benzoate
SMILES
CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
INCHI
InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
FORMULA
C15H24N2O2
Common name
Tetracaine
IUPAC name
2-(dimethylamino)ethyl 4-(butylamino)benzoate
Molecular weight
264.363
clogP
2.473
clogS
-4.057
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
41.57
Number of Rings
1
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF01684 | ethyl 4-aminobenzoate |
|
Nc1ccc(cc1)C(=O)OCC | 0.0017 |
| FDBF02825 | N-ethylaniline |
|
C(C)Nc1ccccc1 | 0.0021 |
| FDBF04152 | methyl 4-(methylamino)benzoate |
|
O(C(=O)c1ccc(cc1)NC)C | 0.0007 |
17 ,
2
