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3-Acetyl Rocuronium Bromide

Product Code

TRC-A187730

CAS Number

122483-73-2

Product Format

Neat

Molecular Formula

C34 H55 N2 O5 . Br

Molecular Weight

651.71

Product Categories

TRC

Purity

>95% (HPLC)

Price and availability

48-hour USA dispatch time
If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.

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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

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

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)

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