Mivacurium chlorideProduct ingredient for Mivacurium
- Name
- Mivacurium chloride
- Drug Entry
- Mivacurium
Mivacurium is a bisbenzylisoquinolinium based neuromuscular blocker or muscle relaxant. It binds competitively to cholinergic receptors on the motor end-plate to antagonize the action of acetylcholine, resulting in a block of neuromuscular transmission.
- Accession Number
- DBSALT001359
- Structure
Structure for Mivacurium chloride (DBSALT001359)
- Synonyms
- Not Available
- UNII
- 600ZG213C3
- CAS Number
- 106861-44-3
- Weight
- Average: 1100.18
Monoisotopic: 1098.4986607 - Chemical Formula
- C58H80Cl2N2O14
- InChI Key
- WMSYWJSZGVOIJW-ONUALHDOSA-L
- InChI
- InChI=1S/C58H80N2O14.2ClH/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;2*1H/q+2;;/p-2/b14-13+;;/t45-,46-,59?,60?;;/m1../s1
- 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 dichloride
- SMILES
- [Cl-].[Cl-].[H]\C(CCC(=O)OCCC[N+]1(C)CCC2=CC(OC)=C(OC)C=C2[C@@]1([H])CC1=CC(OC)=C(OC)C(OC)=C1)=C(\[H])CCC(=O)OCCC[N+]1(C)CCC2=CC(OC)=C(OC)C=C2[C@@]1([H])CC1=CC(OC)=C(OC)C(OC)=C1
- External Links
- ChemSpider
- 4444536
- ChEBI
- 6959
- ChEMBL
- CHEMBL984
- Wikipedia
- Mivacurium_chloride
- Predicted Properties
Property Value Source Water Solubility 3.11e-05 mg/mL ALOGPS logP 4.28 ALOGPS logP -0.76 Chemaxon logS -7.6 ALOGPS pKa (Strongest Acidic) 18.59 Chemaxon pKa (Strongest Basic) -4.1 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 144.9 Å2 Chemaxon Rotatable Bond Count 30 Chemaxon Refractivity 308.74 m3·mol-1 Chemaxon Polarizability 115.14 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon