3-Acetyl-17-deacetyl Rocuronium Bromide

CAS: 1190105-63-5

Ref. TR-A172180

Product Information

• Name: 3-Acetyl-17-deacetyl Rocuronium Bromide
• Synonyms: Pyrrolidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1), 1-[3α-Acetoxy-17β-hydroxy-2β-(morpholin-4-yl)-5α-androstan-16β-yl]-1-(prop-2-enyl)pyrrolidinium Bromide
• Brand: TRC
• Description: Impurity Rocuronium EP Impurity DApplications 3-Acetyl-17-deacetyl Rocuronium Bromide (Rocuronium EP Impurity D) is an impuritiy of Rocuronium bromide (R639500), an aminosteroid and a competitive neuromuscular blocker.References Srinivasan, N., et al.: Oriental. J. Chem., 24, 989 (2008); Magorian, T., et al.: Anesthesiology, 79, 913 (1993); Wicks, T.C., et al.: J. Am. Assoc. Nurse Anesth., 62, 33 (1994)

Chemical properties

• Molecular weight: 609.68
• Formula: C₃₂H₅₃N₂O₄·Br
• Color/Form: Neat
• 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-;/m0./s1
• SMILES: C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)CCCC1.[Br-]