IUPAC name
7-({6-chloro-10-methyl-9,9-dioxo-9λ
SMILES
CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O
Compound class
Nervous System; Antidepressants; Psychoanaleptics;
Therapeutic area
Used primarily in the treatment of major depressive disorder, although it may also be used to treat asthma or irritable bowel syndrome.
Common name
Tianeptine
IUPAC name
7-({6-chloro-10-methyl-9,9-dioxo-9λ
SMILES
CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O
INCHI
InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)
FORMULA
C21H25ClN2O4S
Common name
Tianeptine
IUPAC name
7-({6-chloro-10-methyl-9,9-dioxo-9λ
Molecular weight
436.952
clogP
3.224
clogS
-5.903
HBond Acceptor
4
HBond Donor
2
Total Polar
Surface Area
86.71
Number of Rings
3
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00036 | pentan-1-amine |
|
CCCCCN | 0.0045 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00061 | butyric acid |
|
CCCC(=O)O | 0.0131 |
| FDBF00062 | pentanoic acid |
|
CCCCC(=O)O | 0.0079 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF04379 | chloro(methyl)BLAH dioxide |
|
Clc1cc2c(cc1)Cc3c(cccc3)N(S2(=O)=O)C | 0.0003 |
12 ,
2
