furtrethonium   Click here for help

GtoPdb Ligand ID: 299

Synonyms: furmethide
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 13.14
Molecular weight 140.11
XLogP 0.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C[N+](Cc1ccco1)(C)C
Isomeric SMILES C[N+](Cc1ccco1)(C)C
InChI InChI=1S/C8H14NO/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1
InChI Key HEDXEAAVEOJUCR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
furan-2-ylmethyl-trimethylazanium
International Nonproprietary Names Click here for help
INN number INN
133 furtrethonium iodide
Synonyms Click here for help
furmethide
Database Links Click here for help
Specialist databases
GPCRdb Ligand furtrethonium
Other databases
CAS Registry No. 541-64-0 (source: NCI)
ChEMBL Ligand CHEMBL2110739
DrugCentral Ligand 3256
GtoPdb PubChem SID 135650293
PubChem CID 10938
Search Google for chemical match using the InChIKey HEDXEAAVEOJUCR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HEDXEAAVEOJUCR
Search PubMed clinical trials furtrethonium iodide
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UniChem Compound Search for chemical match using the InChIKey HEDXEAAVEOJUCR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HEDXEAAVEOJUCR-UHFFFAOYSA-N