Responsive image

Common name


Duloxetine

IUPAC name


methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine

SMILES


CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1

Compound class


Dopamine Agents; Analgesics; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Serotonin and Noradrenaline Reuptake Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong);

Therapeutic area


For the acute and maintenance treatment of major depressive disorder (MDD), as well as acute management of generalized anxiety disorder. Also used for the management of neuropathic pain associated with diabetic peripheral neuropathy, and fibromyalgia. Has been used in the management of moderate to severe stress urinary incontinence (SUI) in women.

Common name


Duloxetine

IUPAC name


methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine

SMILES


CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1

INCHI


InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1

FORMULA


C18H19NOS

Responsive image

Common name


Duloxetine

IUPAC name


methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine

Molecular weight


297.415

clogP


5.225

clogS


-5.373

HBond Acceptor


1

HBond Donor


1

Total Polar
Surface Area


49.5

Number of Rings


3

Rotatable Bond


6

Drug ID Common name Structure CAS SMILE Frequency
FDBF00007 propane Responsive image C(C)C 0.2412
FDBF00018 propan-1-ol Responsive image C(O)CC 0.0330
FDBF00041 ethanol Responsive image CCO 0.1474
FDBF00068 N-methylethanamine Responsive image N(CC)C 0.0429
FDBF00634 3-(methylamino)propan-1-ol Responsive image C(CO)CNC 0.0021
FDBF00660 thiophene Responsive image s1cccc1 0.0076
FDBF01042 1-methoxynaphthalene Responsive image COc1c2c(ccc1)cccc2 0.0007
FDBF01043 2-thienylmethanol Responsive image C(O)c1sccc1 0.0007
FDBF01044 (1S)-1-(2-thienyl)ethanol Responsive image C(O)(c1sccc1)C 0.0003
FDBF01045 (1S)-1-(2-thienyl)propan-1-ol Responsive image C(O)(c1sccc1)CC 0.0003
13 , 2