nomifensine   Click here for help

GtoPdb Ligand ID: 4792

Synonyms: Alival® | Merital®
Approved drug
nomifensine is an approved drug (FDA (approval date not specified, withdrawn 1992))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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
Click here for help
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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (approval date not specified, withdrawn 1992))
Approved drug? Yes. FDA (0)
Withdrawn drug? Yes
IUPAC Name Click here for help
2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
International Nonproprietary Names Click here for help
INN number INN
2920 nomifensine
Synonyms Click here for help
Alival® | Merital®
Database Links Click here for help
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
UniChem Compound Search for chemical match using the InChIKey XXPANQJNYNUNES-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XXPANQJNYNUNES-UHFFFAOYSA-N
Wikipedia Nomifensine

Product suppliers

View disclaimer

MedChemExpress
Nomifensine (links to external site)
Cat. No. HY-B1110