Structure

InChI Key ORUUBRMVQCKYHB-UHFFFAOYSA-N
Smile CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O
InChI
InChI=1S/C16H25NO2.C4H6O4/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H31NO6
Molecular Weight 381.47
AlogP 2.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 43.7
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Norepinephrine transporter inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 4 D003865 ClinicalTrials
Hot Flashes 3 D019584 ClinicalTrials
Diabetic Neuropathies 3 D003929 ClinicalTrials
Menopause 3 D008593 ClinicalTrials
Fibromyalgia 2 D005356 ClinicalTrials
Depressive Disorder 1 D003866 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
21.75
General disorders and administration site conditions
20.11
Nervous system disorders
15.92
Injury, poisoning and procedural complications
6.57
Gastrointestinal disorders
6.17
Vascular disorders
3.88
Cardiac disorders
3.62
Musculoskeletal and connective tissue disorders
3.49
Skin and subcutaneous tissue disorders
3.13
Investigations
2.85
Respiratory, thoracic and mediastinal disorders
2.6

Cross References

Resources Reference
ChEMBL CHEMBL1201728
FDA SRS H9E1T0BI90
PubChem 6918664
SureChEMBL SCHEMBL272654