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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19NOS
Molecular Weight 297.415
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DULOXETINE

SMILES

CNCC[C@H](OC1=C2C=CC=CC2=CC=C1)C3=CC=CS3

InChI

InChIKey=ZEUITGRIYCTCEM-KRWDZBQOSA-N
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

HIDE SMILES / InChI
Molecular Formula C18H19NOS
Molecular Weight 297.415
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:25:41 UTC 2023
Edited
by admin
on Fri Dec 15 16:25:41 UTC 2023
Record UNII
O5TNM5N07U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DULOXETINE
EMA EPAR   HSDB   INN   MI   VANDF   WHO-DD  
INN  
Official Name English
YENTREVE
Brand Name English
DULOXETINE [HSDB]
Common Name English
LY-248686
Code English
2-THIOPHENEPROPANAMINE, N-METHYL-.GAMMA.-(1-NAPHTHALENYLOXY)-, (S)-
Systematic Name English
DULOXETINE [MI]
Common Name English
DRIZALMA SPRINKLE
Brand Name English
Duloxetine [WHO-DD]
Common Name English
DULOXETINE [EMA EPAR]
Common Name English
DULOXETINE [VANDF]
Common Name English
(+)-(S)-N-METHYL-.GAMMA.(1-NAPHTHYLOXY)-2-THIOPHENEPROPYLAMINE
Systematic Name English
LY248686
Code English
duloxetine [INN]
Common Name English
Classification Tree Code System Code
NDF-RT N0000175749
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
WHO-VATC QN06AX21
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
NDF-RT N0000000102
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
EMA ASSESSMENT REPORTS XERISTAR (AUTHORIZED: ANXIETY DISORDERS)
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
NCI_THESAURUS C265
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
EMA ASSESSMENT REPORTS DULOXETINE MYLAN (AUTHORIZED: ANXIETY DISORDERS)
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
EMA ASSESSMENT REPORTS DULOXETINE LILLY (AUTHORIZED: NEURALGIA)
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
LIVERTOX NBK548820
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
WHO-ATC N06AX21
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
EMA ASSESSMENT REPORTS DULOXETINE MYLAN (AUTHORIZED: NEURALGIA)
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
EMA ASSESSMENT REPORTS CYMBALTA (AUTHORIZED: ANXIETY DISORDERS)
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
NDF-RT N0000000109
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
Code System Code Type Description
HSDB
7368
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
IUPHAR
202
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
DAILYMED
O5TNM5N07U
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
FDA UNII
O5TNM5N07U
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
WIKIPEDIA
DULOXETINE
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
INN
7012
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
CAS
116539-59-4
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID6048385
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
ChEMBL
CHEMBL1175
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
DRUG CENTRAL
972
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
MESH
C058218
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
SMS_ID
100000085247
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
RXCUI
72625
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C65495
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
CHEBI
36795
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
PUBCHEM
60835
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
DRUG BANK
DB00476
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
MERCK INDEX
m4782
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY Merck Index
LACTMED
Duloxetine
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
EVMPD
SUB06424MIG
Created by admin on Fri Dec 15 16:25:41 UTC 2023 , Edited by admin on Fri Dec 15 16:25:41 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 1A2
METABOLIC ENZYME -> SUBSTRATE
CYP1A2 inhibition increases duloxetine exposure to a clinically significant degree.
CYTOCHROME P450 2D6
METABOLIC ENZYME -> INHIBITOR
Cmax/IC50=0,2
IC50
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
SODIUM-DEPENDENT NORADRENALINE TRANSPORTER
TARGET -> INHIBITOR
IC50
Structure of DULOXETINE
EXCRETED UNCHANGED
Only trace (<1% of the dose) amounts of unchanged duloxetine are present in the urine. Most (about 70%) of the duloxetine dose appears in the urine as metabolites of duloxetine; about 20% is excreted in the feces.
URINE
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
SODIUM-DEPENDENT SEROTONIN TRANSPORTER
TARGET -> INHIBITOR
IC50
Structure of DULOXETINE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of 5-HYDROXY-6-METHOXY DULOXETINE
METABOLITE INACTIVE -> PARENT
Structure of N-DESMETHYLDULOXETINE
METABOLITE -> PARENT
Elimination half-life 11-16 hours. 72% oral excreted inurine and 15% in feces.
URINE
Structure of 5-HYDROXY DULOXETINE .BETA.-D-GLUCURONIDE
METABOLITE INACTIVE -> PARENT
URINE
Structure of 5-HYDROXYDULOXETINE
METABOLITE INACTIVE -> PARENT
MAJOR
Structure of 5-HYDROXYDULOXETINE
METABOLITE INACTIVE -> PARENT
MAJOR
Structure of N-DESMETHYLDULOXETINE-5-.BETA.-D-GLUCOPYRANOSIDURONIC ACID
METABOLITE -> PARENT
Structure of 5-HYDROXY-6-METHOXY DULOXETINE
METABOLITE INACTIVE -> PARENT
Structure of 4-HYDROXY DULOXETINE .BETA.-D-GLUCURONIDE
METABOLITE -> PARENT
Related Record Type Details
Structure of DULOXETINE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC EFFECT OF FOOD: NONE

MAXIMUM TOLERATED DOSE TOXICITY GENERALIZED ANXIETY DISORDER: 120 MG/DAY

MAJOR DEPRESSIVE DISORDER: 120 MG/DAY

Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
CSF/PLASMA RATIO PHARMACOKINETIC SPECIES
PHARMACOKINETIC
Route of Elimination PHARMACOKINETIC EXCRETED UNCHANGED: LESS THAN 1%

Route of Elimination PHARMACOKINETIC
PROTEIN BINDING PHARMACOKINETIC
NIH
NCATS
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