gallamine   Click here for help

GtoPdb Ligand ID: 356

Synonyms: Flaxedil®
Approved drug PDB Ligand
gallamine is an approved drug
Compound class: Synthetic organic
Comment: The approved drug contains three iodine ions and is called gallamine triethiodide. This drug is known as a nondepolarizing neuromuscular blocking drug (NDMRD).
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 21
Topological polar surface area 27.69
Molecular weight 510.46
XLogP 4.29
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC
Isomeric SMILES CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC
InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1928 gallamine triethiodide
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand gallamine
Other databases
BindingDB Ligand 50149891
CAS Registry No. 65-29-2
ChEBI CHEBI:503442
ChEMBL Ligand CHEMBL360055
DrugBank Ligand DB00483
DrugCentral Ligand 1273
GtoPdb PubChem SID 135650296
PubChem CID 3450
Search Google for chemical match using the InChIKey OZLPUNFFCJDMJD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OZLPUNFFCJDMJD
Search PubMed clinical trials gallamine triethiodide
Search PubMed titles gallamine triethiodide
Search PubMed titles/abstracts gallamine triethiodide
UniChem Compound Search for chemical match using the InChIKey OZLPUNFFCJDMJD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OZLPUNFFCJDMJD-UHFFFAOYSA-N
Wikipedia Gallamine_triethiodide