IUPAC name
2-(diethylamino)ethyl 4-aminobenzoate
SMILES
CCN(CC)CCOC(=O)C1=CC=C(N)C=C1
Compound class
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Esters of Aminobenzoic Acid; Antiemetics Antagonists;
Therapeutic area
Used as a local anesthetic primarily in oral surgery.
Common name
Procaine
IUPAC name
2-(diethylamino)ethyl 4-aminobenzoate
SMILES
CCN(CC)CCOC(=O)C1=CC=C(N)C=C1
INCHI
InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
FORMULA
C13H20N2O2
Common name
Procaine
IUPAC name
2-(diethylamino)ethyl 4-aminobenzoate
Molecular weight
236.310
clogP
1.606
clogS
-2.859
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
55.56
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| 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 |
| FDBF01682 | methyl 4-aminobenzoate |
|
Nc1ccc(cc1)C(=O)OC | 0.0021 |
| FDBF01683 | 2-aminoethyl formate |
|
C(COC=O)N | 0.0027 |
| FDBF01684 | ethyl 4-aminobenzoate |
|
Nc1ccc(cc1)C(=O)OCC | 0.0017 |
10 ,
2
