atracurium

Ligand id: 9537

Name: atracurium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 26
Topological polar surface area 126.44
Molecular weight 928.51
XLogP 6.34
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1983), UK (1999))
IUPAC Name
5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
International Nonproprietary Names
INN number INN
4734 atracurium besilate
Synonyms
atracurium besilate | atracurium dibesylate | BW 33A [1] | Tracrium®
Database Links
BindingDB Ligand 92478
ChEMBL Ligand CHEMBL1360
GtoPdb PubChem SID 336446923
PubChem CID 47319
Search Google for chemical match using the InChIKey YXSLJKQTIDHPOT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YXSLJKQTIDHPOT
Search PubMed clinical trials atracurium besilate
Search PubMed titles atracurium besilate
Search PubMed titles/abstracts atracurium besilate
Search UniChem for chemical match using the InChIKey YXSLJKQTIDHPOT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YXSLJKQTIDHPOT
Comments
Atracurium (besylate) is a intermediate-duration non-depolarizing neuromuscular blocking agent, delivered by bolus injection in to a vein. It is a complex molecule with potential to exist as multiple stereoisomers.The INN for this drug stipulates the besylate salt, represented in PubChem CID 47320. We show the structure for the parent molecule, with no specified stereochemistry.