ChemSpider 2D Image | (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane | C35H60N2O4

(2β,3α,5α,16β,17β)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane

  • Molecular FormulaC35H60N2O4
  • Average mass572.861 Da
  • Monoisotopic mass572.454224 Da
  • ChemSpider ID390052

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3α,5α,16β,17β)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstan [German] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3,17-Diacétoxy-2,16-bis(1-méthyl-1-pipéridiniumyl)androstane [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 2,16-bis(1-methyl-1-piperidiniumyl)-, diacetate (ester), (2β,3α,5α,16β,17β)- [ACD/Index Name]
(2b,3a,5a,16b,17b)-3,17-Bis(Acetyloxy)-2,16-bis(1-methylpiperidinium-1-yl)androstane-
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-13-(1-methylpiperidin-1-ium-1-yl)tetracyclo[8.7.0.02,7.011,15]heptadecan-4-yl]-1-methylpiperidin-1-ium
1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)tetracyclo[8.7.0.02,7.011,15]heptadecan-13-yl]-1-methylpiperidin-1-ium
15500-66-0 [RN]
More...

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

AIDS156215 [DBID]
AIDS-156215 [DBID]
C07551 [DBID]
Prestwick0_001034 [DBID]
Prestwick1_001034 [DBID]
SPBio_003098 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A steroid ester in which a 5alpha-androstane skeleton is C-3alpha- and C-17beta-disubstituted with acetoxy groups and 2beta- and 16beta-disubstituted with 1-methylpiperidinium-1-yl groups. It is a non -depolarizing curare-mimetic muscle relaxant. ChEBI CHEBI:7907

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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