Found 17 results

Search term: MF = 'C_{58}H_{80}Cl_{2}N_{2}O_{14}'
ChemSpider 2D Image | (1R,2S,1'R,2'S)-2,2'-{[(4E)-1,8-Dioxo-4-octene-1,8-diyl]bis(oxy-3,1-propanediyl)}bis[6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium] dichloride | C58H80Cl2N2O14

(1R,2S,1'R,2'S)-2,2'-{[(4E)-1,8-Dioxo-4-octene-1,8-diyl]bis(oxy-3,1-propanediyl)}bis[6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium] dichloride

  • Molecular FormulaC58H80Cl2N2O14
  • Average mass1100.167 Da
  • Monoisotopic mass1098.498657 Da
  • ChemSpider ID18586041

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2S,1'R,2'S)-2,2'-{[(4E)-1,8-Dioxo-4-octen-1,8-diyl]bis(oxy-3,1-propandiyl)}bis[6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisochinolinium]dichlorid [German] [ACD/IUPAC Name]
(1R,2S,1'R,2'S)-2,2'-{[(4E)-1,8-Dioxo-4-octene-1,8-diyl]bis(oxy-3,1-propanediyl)}bis[6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium] dichloride [ACD/IUPAC Name]
Dichlorure de (1R,2S,1'R,2'S)-2,2'-{[(4E)-1,8-dioxo-4-octène-1,8-diyl]bis(oxy-3,1-propanediyl)}bis[6,7-diméthoxy-2-méthyl-1-(3,4,5-triméthoxybenzyl)-1,2,3,4-tétrahydroisoquinoléinium] [French] [ACD/IUPAC Name]
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, (1R,2S,1'R,2'S)- (1:2) [ACD/Index Name]
(E)-oct-4-enedioic acid bis[3-[(1R,2R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] ester dichloride
(E)-oct-4-enedioic acid bis[3-[(1R,2R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] ester dichloride
106861-44-3 [RN]
bis[3-[(1R,2R)-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 [BAN] [INN] [USAN] [Wiki]
UNII-600ZG213C3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 30
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 145 Å2
Polarizability:
Surface Tension:
Molar Volume:

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