ifenprodil   Click here for help

GtoPdb Ligand ID: 5472

Synonyms: (±)-ifenprodil | RC 61-91
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 43.7
Molecular weight 325.2
XLogP 4.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc(cc1)C(C(N1CCC(CC1)Cc1ccccc1)C)O
Isomeric SMILES Oc1ccc(cc1)C(C(N1CCC(CC1)Cc1ccccc1)C)O
InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
InChI Key UYNVMODNBIQBMV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
International Nonproprietary Names Click here for help
INN number INN
3236 ifenprodil
Synonyms Click here for help
(±)-ifenprodil | RC 61-91
Database Links Click here for help
CAS Registry No. 23210-56-2
ChEMBL Ligand CHEMBL305187
DrugCentral Ligand 1419
GtoPdb PubChem SID 178102121
PubChem CID 3689
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Tocris
Ifenprodil hemitartrate
Cat. No. 0545