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AG009E3P

122483-73-2 | 1-Allyl-1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-diacetoxy-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)pyrrolidin-1-ium bromide

Chemical structure of 1-Allyl-1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-diacetoxy-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)pyrrolidin-1-ium bromide, CAS 122483-73-2
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CAS Number 122483-73-2
Catalog Number AG009E3P(AGN-PC-0WOZ5J)
Chemical Name 1-Allyl-1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-diacetoxy-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)pyrrolidin-1-ium bromide
IUPAC Name [(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
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
InChI Key IYNFYELGQJULSR-PWXDFCLTSA-M
MDL Number MFCD29050468
Molecular Formula C34H55BrN2O5
Molecular Weight 651.7149
SMILES O(C(C)=O)[C@H]1[C@H](C[C@@]2([C@]1(C)CC[C@]3([C@]2(CC[C@@]4([C@]3(C)C[C@@H]([C@@H](OC(C)=O)C4)N5CCOCC5)[H])[H])[H])[H])[N@+]6(CC=C)CCCC6.[Br-]
Synonyms
3-Acetyl Rocuronium Bromide, 122483-73-2, SCHEMBL9643847, AKOS032945207, J-004810, Rocuronium Bromide EP Impurity B,

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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
    Date:
    Angene International Limited