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
FDBF00066 N-methylmethanamine Responsive image N(C)C 0.0914
FDBF00069 N-methylpropan-1-amine Responsive image N(CCC)C 0.0148
FDBF01041 naphthalen-1-ol Responsive image Oc1c2c(ccc1)cccc2 0.0014
13 , 2