Chemical Compound

Fosaprepitant impurity 55R,S,R

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Fosaprepitant impurity 55R,S,R chemical structure

Primary Record

Fosaprepitant impurity 55R,S,R

In stock: 550 g
Purity: 98.1 %

Compound Identifiers & Properties

PubChem CID: 171379975
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Canonical SMILES: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Names & Synonyms

Fosaprepitant impurity 55R,S,R
(1'R,2S,3R)-Fosaprepitant Dimeglumine
1185503-00-7(free base)
N0001-011483
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol (3-(((2S,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid (2:1)