ChemSpider 2D Image | Alcuronium | C44H50N4O2

Alcuronium

  • Molecular FormulaC44H50N4O2
  • Average mass666.892 Da
  • Monoisotopic mass666.392273 Da
  • ChemSpider ID10308750
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1R,3aR,9Z,10S,11aS,12R,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-23,26-bis(2-hydroxyethylidene)-1,12-di(prop-2-en-1-yl)-1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-19aH,20bH-1,21:10,12-diethanodipyrrolo[3,2-f:3,2-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazole-1,12-diium
(1R,9Z,11S,13S,14R,17R,25Z,27S,28E,30R,33S,35S,37E,38S)-14,30-Diallyl-28,37-bis(2-hydroxyethyliden)-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024,3 5.026,38.030,33]octatriaconta-2,4,6,9,18,20,22,25-octaen [German] [ACD/IUPAC Name]
(1R,9Z,11S,13S,14R,17R,25Z,27S,28E,30R,33S,35S,37E,38S)-14,30-Diallyl-28,37-bis(2-hydroxyethylidene)-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024, 35.026,38.030,33]octatriaconta-2,4,6,9,18,20,22,25-octaene [ACD/IUPAC Name]
(1R,9Z,11S,13S,14R,17R,25Z,27S,28E,30R,33S,35S,37E,38S)-14,30-Diallyl-28,37-bis(2-hydroxyéthylidène)-8,24-diaza-14,30-diazoniaundécacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024, 35.026,38.030,33]octatriaconta-2,4,6,9,18,20,22,25-octaène [French] [ACD/IUPAC Name]
(1R,9Z,11S,13S,14R,17R,25Z,27S,28E,30R,33S,35S,37E,38S)-14,30-Diallyl-28,37-bis(2-hydroxyethylidene)-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,8.110,17.02,7.013,17.018,23.024,35.026,38.030,33]octatriaconta-2,4,6,9,18,20,22,25-octaene
1,21:10,12-Diethano-19aH,20bH-dipyrrolo[3,2-f:3,2-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazolium, 1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-23,26-bis(2-hydroxyethylidene)-1,12-di-2-propen-1- yl-, (1R,3aR,9Z,10S,11aS,12R,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)- [ACD/Index Name]
1,21:10,12-diethano-19aH,20bH-dipyrrolo[3,2-f:3,2-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazolium, 1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-23,26-bis(2-hydroxyethylidene)-1,12-di-2-propen-1-yl-, (1R,3aR,9Z,10S,11aS,12R,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-
23214-96-2 [RN]
4,4'-Didemethyl-4,4'-di-2-propenyltoxiferine I
Alcuronium [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 4101239 [DBID]
  • Miscellaneous
    • Chemical Class:

      An indole alkaloid of the curare family. A neuroblocker, it is often used in chloride form as an anesthesia adjuvant. ChEBI CHEBI:55313

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -3.07
ACD/LogD (pH 5.5): -3.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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