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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO
Molecular Weight 255.3547
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATOMOXETINE

SMILES

CNCC[C@@H](OC1=C(C)C=CC=C1)C2=CC=CC=C2

InChI

InChIKey=VHGCDTVCOLNTBX-QGZVFWFLSA-N
InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1

HIDE SMILES / InChI
Molecular Formula C17H21NO
Molecular Weight 255.3547
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 Sat Dec 16 17:32:25 UTC 2023
Edited
by admin
on Sat Dec 16 17:32:25 UTC 2023
Record UNII
ASW034S0B8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATOMOXETINE
HSDB   INN   MI   VANDF   WHO-DD  
INN  
Official Name English
AD-109 COMPONENT ATOMOXETINE
Common Name English
AD313 COMPONENT ATOMOXETINE
Code English
atomoxetine [INN]
Common Name English
Atomoxetine [WHO-DD]
Common Name English
AD109 COMPONENT ATOMOXETINE
Common Name English
ATOMOXETINE [VANDF]
Common Name English
AD-313 COMPONENT ATOMOXETINE
Code English
ATOMOXETINE [MI]
Common Name English
ATOMOXETINE [HSDB]
Common Name English
Classification Tree Code System Code
WHO-ATC N06BA09
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
LIVERTOX NBK548671
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
WHO-VATC QN06BA09
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
NCI_THESAURUS C265
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
NDF-RT N0000175695
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
NDF-RT N0000000102
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
Code System Code Type Description
PUBCHEM
54841
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
NCI_THESAURUS
C74141
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
CAS
83015-26-3
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
SMS_ID
100000090524
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
HSDB
7352
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
DAILYMED
ASW034S0B8
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
EVMPD
SUB20597
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
RXCUI
38400
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY RxNorm
FDA UNII
ASW034S0B8
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
IUPHAR
7118
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
LACTMED
Atomoxetine
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
ChEMBL
CHEMBL641
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
WIKIPEDIA
ATOMOXETINE
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
DRUG BANK
DB00289
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
MERCK INDEX
m2124
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY Merck Index
CHEBI
331697
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
MESH
C041930
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
CHEBI
127342
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
DRUG CENTRAL
256
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
INN
5354
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID9044297
Created by admin on Sat Dec 16 17:32:27 UTC 2023 , Edited by admin on Sat Dec 16 17:32:27 UTC 2023
PRIMARY
Related Record Type Details
Structure of ATOMOXETINE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
CYTOCHROME P450 2C19
METABOLIC ENZYME -> SUBSTRATE
NMDA RECEPTOR
TARGET -> INHIBITOR
NON-COMPETITIVE
IC50
SODIUM-DEPENDENT NORADRENALINE TRANSPORTER
TARGET -> INHIBITOR
Structure of ATOMOXETINE
EXCRETED UNCHANGED
FECAL; URINE
CYTOCHROME P450 2D6
METABOLIC ENZYME -> INHIBITOR
POTENT
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Related Record Type Details
Structure of 2-CARBOXYATOMOXETINE
METABOLITE -> PARENT
Structure of 4-HYDROXYATOMOXETINE
METABOLITE ACTIVE -> PARENT
MAJOR
Structure of 2-((1R)-3-(METHYLAMINO)-1-PHENYLPROPOXY)BENZENEMETHANOL
METABOLITE -> PARENT
Structure of N-DESMETHYL-4-HYDROXYATOMOXETINE-O-GLUCURONIDE
METABOLITE -> PARENT
URINE
Structure of N-DESMETHYL-4-HYDROXYATOMOXETINE
METABOLITE -> PARENT
URINE
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2-((1R)-3-(METHYLAMINO)-1-PHENYLPROPOXY)PHENYL)METHYL
METABOLITE -> PARENT
Structure of N-DESMETHYLATOMOXETINE
METABOLITE LESS ACTIVE -> PARENT
Related Record Type Details
Structure of ATOMOXETINE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Tmax PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
NIH
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