(2beta,3alpha,5beta,9beta,14beta,16beta,17beta)-3-Acetoxy-16-(1-allyl-1-pyrrolidiniumyl)-17-hydroxy-2-(4-morpholinyl)androstane bromide | CAS No. 1190105-63-5

(2beta,3alpha,5beta,9beta,14beta,16beta,17beta)-3-Acetoxy-16-(1-allyl-1-pyrrolidiniumyl)-17-hydroxy-2-(4-morpholinyl)androstane bromide

Basic Information

CAS Number

1190105-63-5

Molecular Formula

C32H53BrN2O4

Molecular Weight

609.68 g/mol

AD

Basic Physical Properties

C=CC[N+]1(CCCC1)[C@H]1C[C@@H]2[C@]([C@H]1O)(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@@H]([C@H](C2)OC(=O)C)N1CCOCC1.[Br-]

InChI

InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(38-22(2)35)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)36;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24-,25-,26-,27+,28+,29+,30+,31+,32+;/m1./s1

InChIKey

BZQOUFUQMYPWEW-GYFLCYNPSA-M

Complexity

898

Synonyms & References

English

  • 3-Acetyl-17-deacetyl Rocuronium Bromide
  • Rocuronium Bromide Impurity 17 (EP impurity D)
  • [(2S,3S,5R,8R,9R,10S,13S,14R,16S,17R)-17-Hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpy
  • Rocuronium Bromide EP Impurity D Bromide
  • Rocuronium bromide intermediate D
  • 1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidin-1-ium
  • bromide (1:1)

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