mivacurium   

GtoPdb Ligand ID: 7243

Synonyms: BWB109OU | Mivacron®
mivacurium is an approved drug (FDA (1992))
Compound class: Synthetic organic
Comment: Mivacurium is a short-acting, nondepolarizing skeletal muscle relaxant.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 30
Topological polar surface area 144.9
Molecular weight 1028.56
XLogP 7.25
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2c(cc1OC)CC[N+](C2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]1(C)CCc2c(C1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC
Isomeric SMILES COc1cc2c(cc1OC)CC[N+]([C@@H]2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc2c([C@H]1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC
InChI InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1
InChI Key ILVYCEVXHALBSC-OTBYEXOQSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1992))
IUPAC Name
(1R)-2-(3-{[(4E)-8-{3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propoxy}-8-oxooct-4-enoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
International Nonproprietary Names
INN number INN
6226 mivacurium chloride
Synonyms
BWB109OU | Mivacron®
Database Links
CAS Registry No. 106791-40-6
ChEMBL Ligand CHEMBL1182833
DrugBank Ligand DB01226
DrugCentral Ligand 1822
GtoPdb PubChem SID 178103817
PubChem CID 5281042
Search Google for chemical match using the InChIKey ILVYCEVXHALBSC-OTBYEXOQSA-N
Search Google for chemicals with the same backbone ILVYCEVXHALBSC
Search PubMed clinical trials mivacurium chloride
Search PubMed titles mivacurium chloride
Search PubMed titles/abstracts mivacurium chloride
Search UniChem for chemical match using the InChIKey ILVYCEVXHALBSC-OTBYEXOQSA-N
Search UniChem for chemicals with the same backbone ILVYCEVXHALBSC
Wikipedia Mivacurium chloride