Chemical Compound

3-Acetyl Rocuronium Bromide

CAS Registry Number 122483-73-2
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3-Acetyl Rocuronium Bromide chemical structure
Primary Record

3-Acetyl Rocuronium Bromide

In stock
1,750 g
Purity
99.3 %
CAS
122483-73-2

Compound Identifiers & Properties

CAS
122483-73-2
PubChem CID
67897954
SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCOCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCC6)CC=C)C.[Br-]
Canonical SMILES
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-]

Names & Synonyms

  • 3-Acetyl Rocuronium Bromide
  • Rocuronium EP Impurity B
  • Rocuronium Bromide EP Impurity B
  • 122483-73-2
  • SCHEMBL9643847
  • FA59715
  • FT-0777950
  • G78337
  • [(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
  • 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
  • 1-[3a,17ss-Diacetoxy-2ss-(morpholin-4-yl)-5a-androstan-16ss-yl]-1-(prop-2-enyl)pyrrolidinium Bromide; Pyrrolidinium, 1-[(2ss,3a,5a,16ss,17ss)-3,17-bis(acetyloxy)-2-(4-morpholinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1); Pyrrolidinium, 1-[(2ss,3a,5a,16ss,17ss)-3,17-bis(acetyloxy)-2-(4-morpholinyl)androstan-16-yl]-1-(2-propenyl)-, bromide (9CI)