IUPAC name
N-[2-(methoxycarbonyl)-4-methylthiophen-3-yl]-2-(propylamino)propanimidic acid
SMILES
CCCNC(C)C(O)=NC1=C(SC=C1C)C(=O)OC
Compound class
Anesthetics, Local; Anesthetics; Nervous System; Amides;
Therapeutic area
Common name
Articaine
IUPAC name
N-[2-(methoxycarbonyl)-4-methylthiophen-3-yl]-2-(propylamino)propanimidic acid
SMILES
CCCNC(C)C(O)=NC1=C(SC=C1C)C(=O)OC
INCHI
InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)
FORMULA
C13H20N2O3S
Common name
Articaine
IUPAC name
N-[2-(methoxycarbonyl)-4-methylthiophen-3-yl]-2-(propylamino)propanimidic acid
Molecular weight
284.374
clogP
3.536
clogS
-3.177
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
99.16
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00073 | N-ethylpropan-1-amine |
|
N(CCC)CC | 0.0086 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF03949 | N-(4-methyl-3-thienyl)formamide |
|
s1cc(c(c1)C)NC=O | 0.0003 |
| FDBF03950 | methyl 4-methylthiophene-2-carboxylate |
|
s1c(cc(c1)C)C(=O)OC | 0.0003 |
12 ,
2
