1,2-Dehydro-3-oxo Rocuronium Bromide

1,2-Dehydro-3-oxo Rocuronium Bromide

• Synonyms: Pyrrolidinium, 1-[(5α,16β,17β)-17-(acetyloxy)-2-(4-morpholinyl)-3-oxoandrost-1-en-16-yl]-1-(2-propen-1-yl)-, bromide (1:1); 1-[17β-Acetoxy-2-(morpholin-4-yl)-3-oxo-5α-androst-1-en-16β-yl]-1-(prop-2-enyl)pyrrolidinium Bromide
• CAS Number: 1190105-67-9
• Hazard Statement: Not a hazardous substance according to GHS.
• Purity: >95% (HPLC)
• Smiles: [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4CC(=O)C(=C[C@]4(C)[C@H]3CC[C@]12C)N5CCOCC5)[N+]6(CC=C)CCCC6
• Molecular Formula: C32 H49 N2 O4 . Br
• Molecular Weight: 605.65
• InChI: InChI=1S/C32H49N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,21,23-26,28,30H,1,6-20H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,28-,30-,31-,32-;/m0./s1
• Additionnal Information: IUPAC name: [(5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-3-oxo-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate;bromide
• Shipping Conditions: Room Temperature
• Storage Conditions: -20°C