Mivacurium dichloride

Basic Information

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CAS Number

106861-44-3

Molecular Formula

C58H80Cl2N2O14

Molecular Weight

1100.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Specific Rotation

-63 ~ -56° (c=1.9, in H2O)

SMILES

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C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C.[Cl-].[Cl-]

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

InChIKey

WMSYWJSZGVOIJW-ONUALHDOSA-L

LogP

2.95460

Complexity

1550

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Q27263131
CS-0013697
Mivacurium (dichloride)
AKOS025311198
UNII-600ZG213C3
ISOQUINOLINIUM, 2,2'-(((4E)-1,8-DIOXO-4-OCTENE-1,8-DIYL)BIS(OXY-3,1-PROPANEDIYL))BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, CHLORIDE (1:2), (1R,1'R)-
CHEMBL984
Mivacurii chloridum (Latin)
Isoquinolinium, 2,2'-((1,8-dioxo-4-octene-1,8-diyl)bis(oxy-3,1-propanediyl))bis(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl)-, dichloride, (R-(R*,R*-(E)))-
EN300-21702642
Chlorure de mivacurium [French]
BW B109OU dichloride
MIVACRON IN DEXTROSE 5% IN PLASTIC CONTAINER
bis[3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate;dichloride
Mivacurium chloride [USAN:INN:BAN]
D00763
BW-B1090U
MIVACURIUM CHLORIDE (MART.)
600ZG213C3
Cloruro de mivacurio
BW-1090U DICHLORIDE
DTXSID5046649
(R)-1,2,3,4-TETRAHYDRO-2-(3-HYDROXYPROPYL)-6,7-DIMETHOXY-2-METHYL-1-(3,4,5-TRIMETHOXYBENZYL)ISOQUINOLINIUM CHLORIDE, (E)-4-OCTENEDIOATE
HY-B1700A
Mivacron
CAS-106861-44-3
BW B1090U dichloride
MIVACURIUM CHLORIDE
HMS3886M16
SCHEMBL41232
SCHEMBL10666657

MDL Number

MFCD00867767

FAQ

What are the physical and chemical properties of Mivacurium dichloride (CAS: 106861-44-3)?

Mivacurium dichloride is a crystalline compound with a molecular weight of approximately 347.34 g/mol. It is sparingly soluble in water and highly reactive under basic conditions. The compound is stable under normal storage conditions but may degrade in the presence of moisture and light.

How is Mivacurium dichloride (CAS: 106861-44-3) typically synthesized?

Mivacurium dichloride is synthesized via a multi-step process involving the reaction of a 1,4-diazabicyclo[2.2.2]octane derivative with a quaternary ammonium salt. The key steps include nucleophilic substitution and chloride elimination, yielding the desired product with high selectivity and good yield.

What industries use Mivacurium dichloride (CAS: 106861-44-3)?

Mivacurium dichloride is primarily used in the pharmaceutical industry as a muscle relaxant during surgical procedures. It is also of interest in the medical research sector for studying neuromuscular junctions and in the development of new pharmaceuticals.

What precautions should be taken when handling Mivacurium dichloride (CAS: 106861-44-3)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling Mivacurium dichloride. Ensure the use of a fume hood to minimize inhalation risks. Spills should be handled with absorbent materials and the area should be cleaned using appropriate solvents. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.