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
CAS Registry No. 541-64-0 (source: NCI)
ChEMBL Ligand CHEMBL2110739
DrugCentral Ligand 3256
GtoPdb PubChem SID 135650293
PubChem CID 10938
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