3-Acetyl Rocuronium Bromide
Product Code
TRC-A187730
CAS Number
Product Format
Neat
Molecular Formula
C34 H55 N2 O5 . Br
Molecular Weight
651.71
Product Categories
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
3-Acetyl Rocuronium Bromide
CAS Number
122483-73-2
Molecular Formula
C34 H55 N2 O5 . Br
Molecular Weight
651.71
Accurate Mass
650.3294
SMILES
[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(=O)C)[N+]5(CC=C)CCCC5)[C@@]2(C)C[C@@H]1N6CCOCC6
InChI
/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-, 1H/q+1, /h6,25-32H,1,7-22H2,2-5H3, /m0./s1, 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
IUPAC
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;bromide
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)