CAS 1190105-63-5 3-Acetyl-17-deacetyl Rocuronium Bromide - Analytical Products / Alfa Chemistry

CAT	APS1190105635
CAS	1190105-63-5
Structure
Synonyms	1-[3α-Acetoxy-17β-hydroxy-2β-(morpholin-4-yl)-5α-androstan-16β-yl]-1-(prop-2-enyl)pyrrolidinium Bromide,Pyrrolidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1)
IUPAC Name	[(2S,3S,5S,8R,9S,10S,13S,14S,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
Molecular Weight	609.68
Molecular Formula	C32H53N2O4.Br
Canonical SMILES	[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)[C@H](C[C@@H]34)[N+]5(CC=C)CCCC5)[C@@]2(C)C[C@@H]1N6CCOCC6
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

* Products or Services Interested: 3-Acetyl-17-deacetyl Rocuronium Bromide (1190105-63-5)
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