dyclonine   Click here for help

GtoPdb Ligand ID: 7173

Synonyms: dyclocaine
Approved drug PDB Ligand
dyclonine is an approved drug (FDA (date unknown))
Compound class: Synthetic organic
Comment: Dyclonine is a local anesthetic.
Marketed formulations contain dyclonine hydrochloride (PubChem CID 68304).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 29.54
Molecular weight 289.2
XLogP 3.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1
Isomeric SMILES CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1
InChI InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
InChI Key BZEWSEKUUPWQDQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (date unknown))
IUPAC Name Click here for help
1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one
International Nonproprietary Names Click here for help
INN number INN
640 dyclonine
Synonyms Click here for help
dyclocaine
Database Links Click here for help
CAS Registry No. 586-60-7
ChEMBL Ligand CHEMBL1201217
DrugBank Ligand DB00645
DrugCentral Ligand 974
GtoPdb PubChem SID 178103748
PubChem CID 3180
RCSB PDB Ligand N8R
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UniChem Compound Search for chemical match using the InChIKey BZEWSEKUUPWQDQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BZEWSEKUUPWQDQ-UHFFFAOYSA-N
Wikipedia Dyclonine