IUPAC name
{1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl}dimethylamine
SMILES
CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1
Compound class
Appetite Depressants; Antidepressive Agents; Stimulants; Alimentary Tract and Metabolism; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; CYP3A4 Inhibitors;
Therapeutic area
For the treatment of obesity.
Common name
Sibutramine
IUPAC name
{1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl}dimethylamine
SMILES
CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1
INCHI
InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
FORMULA
C17H26ClN
Common name
Sibutramine
IUPAC name
{1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl}dimethylamine
Molecular weight
279.848
clogP
4.848
clogS
-4.890
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
3.24
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00115 | 2-methylbutane |
|
C(C)(C)CC | 0.0103 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF01386 | methylcyclobutane |
|
C1(CCC1)C | 0.0014 |
| FDBF02507 | 1-cyclobutyl-N,N-dimethyl-methanamine |
|
C(C1CCC1)N(C)C | 0.0003 |
| FDBF02508 | ethylcyclobutane |
|
C(C1CCC1)C | 0.0007 |
| FDBF02510 | N,N,3-trimethylbutan-1-amine |
|
C(N(C)C)CC(C)C | 0.0003 |
| FDBF02511 | isopentylcyclobutane |
|
C(C1CCC1)CC(C)C | 0.0003 |
14 ,
2
