ATOMOXETINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2002)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 57WVB6I2W0
Parent Compound: ATOMOXETINE

Structure
InChI Key LUCXVPAZUDVVBT-UNTBIKODSA-N
Smile CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl
InChI
InChI=1S/C17H21NO.ClH/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;1H/t17-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22ClNO
Molecular Weight 291.82
AlogP 3.72
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 21.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Norepinephrine transporter inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit and Disruptive Behavior Disorders 3 D019958 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Amphetamine-Related Disorders 1 D019969 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
26.4
Nervous system disorders
14.41
General disorders and administration site conditions
11.51
Injury, poisoning and procedural complications
6.14
Gastrointestinal disorders
6.1
Investigations
4.94
Cardiac disorders
4.82
Vascular disorders
3.87
Skin and subcutaneous tissue disorders
3.42
Respiratory, thoracic and mediastinal disorders
2.89
Musculoskeletal and connective tissue disorders
2.45
Metabolism and nutrition disorders
2.2

Cross References

Resources Reference
ChEBI 331697
ChEMBL CHEMBL1702
EPA CompTox DTXSID2044266
FDA SRS 57WVB6I2W0
KEGG D07473
PubChem 54840
SureChEMBL SCHEMBL122111
ZINC ZINC01842633
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