Mivacurium chloride

CAS Registry Number®

106861-44-3

CAS Name

Mivacurium chloride

Molecular Formula

C58H80N2O14.2Cl

Cite this Page

Mivacurium chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106861-44-3 (retrieved 2024-11-22) (CAS RN: 106861-44-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=WMSYWJSZGVOIJW-ONUALHDOSA-L

SMILES

C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N+]1(CCCOC(CC/C=C/CCC(OCCC[N+]3(C)[C@H](CC4=CC(OC)=C(OC)C(OC)=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C)C6=CC(OC)=C(OC)C(OC)=C6.[Cl-]

Canonical SMILES

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

Other Names for this Substance

  • 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)-
  • 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)]]-
  • 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]-, dichloride, (1R,1′R)-
  • [R-[R*,R*-(E)]]-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]isoquinolinium dichloride
  • BW-B 1090U

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration