terfenadine   Click here for help

GtoPdb Ligand ID: 2608

Synonyms: RMI-9918 | Seldane® | Triludan®
Approved drug Immunopharmacology Ligand
terfenadine is an approved drug (FDA)
Compound class: Synthetic organic
Comment: Due to adverse effects on cardiac function, terfenadine has largely been superseded by its carboxylic acid metabolite fexofenadine. Terfenadine was completely withdrawn in the US in 1998.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 43.7
Molecular weight 471.31
XLogP 7.11
No. Lipinski's rules broken 1
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Canonical SMILES OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O
Isomeric SMILES OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O
InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA)
Withdrawn drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3674 terfenadine
Synonyms Click here for help
RMI-9918 | Seldane® | Triludan®
Database Links Click here for help
Specialist databases
GPCRdb Ligand terfenadine
Other databases
BindingDB Ligand 50017376
CAS Registry No. 50679-08-8
ChEMBL Ligand CHEMBL17157
DrugBank Ligand DB00342
DrugCentral Ligand 2600
GtoPdb PubChem SID 135651245
PubChem CID 5405
Search Google for chemical match using the InChIKey GUGOEEXESWIERI-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey GUGOEEXESWIERI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GUGOEEXESWIERI-UHFFFAOYSA-N
Wikipedia Terfenadine

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Terfenadine (links to external site)
Cat. No. 3948