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AG008X3M

1190105-63-5 | 1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-Acetoxy-17-hydroxy-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidin-1-ium bromide (Rocuronium Bromide Impurity)

Chemical structure of 1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-Acetoxy-17-hydroxy-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidin-1-ium bromide (Rocuronium Bromide Impurity), CAS 1190105-63-5
AG008X3M
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CAS Number 1190105-63-5
Catalog Number AG008X3M(AGN-PC-0WH3SW)
Chemical Name 1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-Acetoxy-17-hydroxy-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidin-1-ium bromide (Rocuronium Bromide Impurity)
IUPAC Name [(2S,3S,5R,8R,9R,10S,13S,14R,16S,17R)-17-hydroxy-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
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+;/m1./s1
InChI Key BZQOUFUQMYPWEW-GYFLCYNPSA-M
MDL Number MFCD22200781
Molecular Formula C32H53BrN2O4
Molecular Weight 609.6782
SMILES C[C@@]12[C@](C[C@@]([N+]3(CCCC3)CC=C)([H])[C@@H]2O)([H])[C@@]4([H])[C@@](CC1)([H])[C@@]5([C@@](C[C@@H]([C@](N6CCOCC6)([H])C5)OC(C)=O)([H])CC4)C.[Br-]
Synonyms
1190105-63-5, Rocuronium Bromide Impurity 17 (EP impurity D), 3-Acetyl-17-deacetyl Rocuronium Bromide,

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    CERTIFICATE OF ANALYSIS
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
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    Reviewed by:Jessie
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    Angene International Limited