Structure

InChI Key YETWCSLOYUZBLK-JITBQSAISA-N
Smile CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C16H25NO2.C4H4O4.H2O/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;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H31NO7
Molecular Weight 397.47
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 FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 4 D003865 FDA

Related Entries

MCS

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
19.51
Injury, poisoning and procedural complications
19.51
Nervous system disorders
18.29
Psychiatric disorders
17.07
Cardiac disorders
7.32
Vascular disorders
6.1
Investigations
2.44
Musculoskeletal and connective tissue disorders
2.44
Pregnancy, puerperium and perinatal conditions
2.44

Cross References

Resources Reference
ChEMBL CHEMBL3989861
FDA SRS R5JHD7L72A
PubChem 13520322
SureChEMBL SCHEMBL3405491