nomifensine   

GtoPdb Ligand ID: 4792

Synonyms: Alival® | Merital®
nomifensine is an approved drug (FDA (approval date not specified, withdrawn 1992))
Compound class: Synthetic organic
Comment: Nomifensine is a norepinephrine-dopamine reuptake inhibitor. Bioactivity is reported to lie with the (S) isomer.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 29.26
Molecular weight 238.15
XLogP 2.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CC(c2ccccc2)c2c(C1)c(N)ccc2
Isomeric SMILES CN1CC(c2ccccc2)c2c(C1)c(N)ccc2
InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
InChI Key XXPANQJNYNUNES-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (approval date not specified, withdrawn 1992))
Withdrawn drug? Yes
IUPAC Name
2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
International Nonproprietary Names
INN number INN
2920 nomifensine
Synonyms
Alival® | Merital®
Database Links
CAS Registry No. 24526-64-5 (source: Scifinder)
ChEMBL Ligand CHEMBL273575
DrugBank Ligand DB04821
DrugCentral Ligand 1958
GtoPdb PubChem SID 178101494
PubChem CID 4528
Search Google for chemical match using the InChIKey XXPANQJNYNUNES-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XXPANQJNYNUNES
Search PubMed clinical trials nomifensine
Search PubMed titles nomifensine
Search PubMed titles/abstracts nomifensine
Search UniChem for chemical match using the InChIKey XXPANQJNYNUNES-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XXPANQJNYNUNES
Wikipedia Nomifensine