A172180
3-Acetyl-17-deacetyl Rocuronium Bromide
| Trivial name | 3-Acetyl-17-deacetyl Rocuronium Bromide |
| Catalog Number | TRC-A172180-100MG |
| Alternative Name(s) | 1-[(2β,3α,5α,16β,17β)-3-(Acetyloxy)-17-hydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propen-1-yl)-pyrrolidinium Bromide; Rocuronium EP Impurity D; |
| Molecular Formula | C₃₂H₅₃BrN₂O₄ |
| CAS# | 1190105-63-5 |
| 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 | [H][C@@]12CC[C@@]3([H])C[C@H](OC(C)=O)[C@@H](N4CCOCC4)C[C@]3(C)[C@@]1([H])CC[C@@]5(C)[C@@]2([H])C[C@H]([N+]6(CC=C)CCCC6)[C@@H]5O.[Br-] |
| Beilstein Registry Number | NA |
| Size | 100mg |
| Supplier Page | https://www.lgcstandards.com/CA/en/p/TRC-A172180-100MG |