ChemSpider 2D Image | Rocuronium bromide | C32H53BrN2O4

Rocuronium bromide

  • Molecular FormulaC32H53BrN2O4
  • Average mass609.678 Da
  • Monoisotopic mass608.318848 Da
  • ChemSpider ID390104
  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(+)-Rocuronium bromide
(2β,3α,5α,16β,17β)-17-(acetyloxy)-3-hydroxy-2-(morpholin-4-yl)-16-[1-(prop-2-en-1-yl)pyrrolidinium-1-yl]androstane bromide
(2β,3α,5α,16β,17β)-17-(acetyloxy)-3-hydroxy-2-morpholin-4-yl-16-(1-prop-2-en-1-ylpyrrolidinium-1-yl)androstane bromide
(2β,3α,5α,16β,17β)-17-Acetoxy-16-(1-allyl-1-pyrrolidiniumyl)-3-hydroxy-2-(4-morpholinyl)androstanbromid [German] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-17-Acetoxy-16-(1-allyl-1-pyrrolidiniumyl)-3-hydroxy-2-(4-morpholinyl)androstane bromide [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-17-Acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane bromide
1-((2b,3a,5a,16b,17b)-17-(acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)pyrrolidinium bromide
119302-91-9 [RN]
Androstane-3,17-diol, 2-(4-morpholinyl)-16-[1-(2-propen-1-yl)-1-pyrrolidiniumyl]-, bromide, 17-acetate, (2β,3α,5α,16β,17β)- (1:1) [ACD/Index Name]

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

ORG 9426 [DBID]
D00765 [DBID]
ORG-9426 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      P261; P262 Biosynth Q-101010
    • Target Organs:

      AChR antagonist TargetMol T0156
    • Chemical Class:

      The organic bromide salt of a 5<stereo>alpha</stereo> androstane compound having 3<stereo>alpha</stereo>-hydroxy-, 17<stereo>beta</stereo>-acetoxy-, 2<stereo>beta</stereo>-morpholino- and 16<stereo>be ta</stereo>-<element>N</element>-allyllyrrolidinium substituents. ChEBI CHEBI:8885
      The organic bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16be; ta-N-allyllyrrolidinium substituents. ChEBI
    • Bio Activity:

      Muscarinic AChR TargetMol T0156
      Neuroscience TargetMol T0156
      Others MedChem Express HY-17440
      Rocuronium Bromide is an aminosteroid non-depolarizing neuromuscular blocker or muscle relaxant used in modern anaesthesia, to facilitate endotracheal intubation and to provide skeletal musclerelaxati on during surgery or mechanical ventilation.; IC50 Value:; in vitro: Rocuronium reduced the indirectly elicited twitch tensions in normal (50% inhibitory concentration [IC(50)], 9.84 [9.64-10.04] ?M, mean [95% confidence interval]) and all pretreated diaphragms (P < .01, n = 6) in a concentration-dependent fashion [1]. MedChem Express HY-17440

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

No predicted properties have been calculated for this compound.

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