3-Acetyl Rocuronium Bromide

CAS: 122483-73-2

Ref. TR-A187730

Product Information

• Name: 3-Acetyl Rocuronium Bromide
• Synonyms: 1-[3α,17β-Diacetoxy-2β-(morpholin-4-yl)-5α-androstan-16β-yl]-1-(prop-2-enyl)pyrrolidinium Bromide, Pyrrolidinium, 1-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)-2-(4-morpholinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1), Pyrrolidinium, 1-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)-2-(4-morpholinyl)androstan-16-yl]-1-(2-propenyl)-, bromide (9CI)
• Brand: TRC
• Description: Impurity Rocuronium EP Impurity BApplications 3-Acetyl Rocuronium Bromide (Rocuronium EP Impurity B) 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: 651.71
• Formula: C₃₄H₅₅N₂O₅·Br
• Color/Form: Neat
• InChI: InChI=1S/C34H55N2O5.BrH/c1-6-15-36(16-7-8-17-36)30-21-28-26-10-9-25-20-31(40-23(2)37)29(35-13-18-39-19-14-35)22-34(25,5)27(26)11-12-33(28,4)32(30)41-24(3)38;/h6,25-32H,1,7-22H2,2-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/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]2OC(C)=O)CCCC1.[Br-]