Doxacurium chloride

CAS Registry Number®

106819-53-8
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CAS Name

Doxacurium chloride

Molecular Formula

C56H78N2O16.2Cl

Cite this Page

Doxacurium chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=106819-53-8 (retrieved 2024-04-26) (CAS RN: 106819-53-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2

InChIKey

InChIKey=APADFLLAXHIMFU-UHFFFAOYSA-L

SMILES

C(C1C=2C(=CC(OC)=C(OC)C2OC)CC[N+]1(CCCOC(CCC(OCCC[N+]3(C)C(CC4=CC(OC)=C(OC)C(OC)=C4)C=5C(CC3)=CC(OC)=C(OC)C5OC)=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(OC)=C2C1CC3=CC(OC)=C(OC)C(OC)=C3)CCC(=O)OCCC[N+]4(C)CCC5=CC(OC)=C(OC)C(OC)=C5C4CC6=CC(OC)=C(OC)C(OC)=C6

Other Names for this Substance

  • Isoquinolinium, 2,2′-[(1,4-dioxo-1,4-butanediyl)bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, chloride (1:2), (1R,1′S,2S,2′R)-rel-
  • Isoquinolinium, 2,2′-[(1,4-dioxo-1,4-butanediyl)bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, dichloride, [1α,2β(1′S*,2′R*)]-
  • Isoquinolinium, 2,2′-[(1,4-dioxo-1,4-butanediyl)bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, dichloride, (1R,1′S,2S,2′R)-rel-
  • Doxacurium chloride
  • BW-A 938U

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