IUPAC name
2-(diethylamino)ethyl 4-amino-2-chlorobenzoate
SMILES
CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1
Compound class
Anesthetics, Local; Anesthetics; Nervous System; Esters of Aminobenzoic Acid; Antiemetics Antagonists;
Therapeutic area
For the production of local anesthesia by infiltration and peripheral nerve block. They are not to be used for lumbar or caudal epidural anesthesia.
Common name
Chloroprocaine
IUPAC name
2-(diethylamino)ethyl 4-amino-2-chlorobenzoate
SMILES
CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1
INCHI
InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3
FORMULA
C13H19ClN2O2
Common name
Chloroprocaine
IUPAC name
2-(diethylamino)ethyl 4-amino-2-chlorobenzoate
Molecular weight
270.755
clogP
2.273
clogS
-3.620
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 |
| 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 |
| FDBF01683 | 2-aminoethyl formate |
|
C(COC=O)N | 0.0027 |
| FDBF02627 | methyl 4-amino-2-chloro-benzoate |
|
O(C(=O)c1c(cc(cc1)N)Cl)C | 0.0003 |
| FDBF02628 | ethyl 4-amino-2-chloro-benzoate |
|
O(C(=O)c1c(cc(cc1)N)Cl)CC | 0.0003 |
| FDBF02629 | 3-chloroaniline |
|
Nc1cccc(c1)Cl | 0.0010 |
10 ,
2
