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Rocuronium bromide

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For Research Use Only | Not For Clinical Use
CATAPS119302919
CAS119302-91-9
Structure
MDL NumberMFCD00867768
SynonymsRocuronium bromide, 1-[17ß-(Acetyloxy)-3a-hydroxy-2ß-(morpholin-4-yl)-5a-androstan-16ß-yl]-1-(prop-2-enyl)pyrrolidinium bromide
IUPAC Name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-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-17-yl] acetate;bromide
Molecular Weight609.68
Molecular FormulaC32H53N2O4.Br
Canonical SMILES[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N5CCOCC5)[N+]6(CC=C)CCCC6
InChIInChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1
InChI KeyOYTJKRAYGYRUJK-FMCCZJBLSA-M
Description≥97% (perchloric acid titration)
Accurate Mass608.3189
API FamilyMatrix - API Family See respective official monograph(s)
Assay≥97% (perchloric acid titration)
FormatNeat
Product TypeAPI
ShippingIce pack (-20°C)
Size50MG, 250MG
Storage Conditions-20°C
SubcategoryEuropean Pharmacopoeia (Ph. Eur.)
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