
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

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 |
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C(C)C | 0.2412 |
FDBF00018 | propan-1-ol |
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C(O)CC | 0.0330 |
FDBF00041 | ethanol |
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CCO | 0.1474 |
FDBF00068 | N-methylethanamine |
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N(CC)C | 0.0429 |
FDBF00634 | 3-(methylamino)propan-1-ol |
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C(CO)CNC | 0.0021 |
FDBF00660 | thiophene |
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s1cccc1 | 0.0076 |
FDBF01042 | 1-methoxynaphthalene |
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COc1c2c(ccc1)cccc2 | 0.0007 |
FDBF01043 | 2-thienylmethanol |
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C(O)c1sccc1 | 0.0007 |
FDBF01044 | (1S)-1-(2-thienyl)ethanol |
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C(O)(c1sccc1)C | 0.0003 |
FDBF01045 | (1S)-1-(2-thienyl)propan-1-ol |
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C(O)(c1sccc1)CC | 0.0003 |