ent-Fosaprepitant Dimeglumine

cas: 1523569-87-0 — see every product listed under this CAS number, including other names

ent-Fosaprepitant Dimeglumine (CAS 1523569-87-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULF3620
cas1523569-87-0
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

[3-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol) (CAS 1523569-87-0) is a chemical compound with the molecular formula C37H56F7N6O16P and a molecular weight of 1004.8 g/mol. IUPAC name: [3-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol). InChIKey: VRQHBYGYXDWZDL-ZRTNFUAKSA-N.

Identity
Molecular formulaC37H56F7N6O16P
Molecular weight1004.8 g/mol
IUPAC name[3-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)
InChIKeyVRQHBYGYXDWZDL-ZRTNFUAKSA-N
SMILESC[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

Computed by PubChem (NCBI)

Synonyms: (1'S,2S,3R)-Fosaprepitant Dimeglumine, Fosaprepitant Impurity T, 1523569-87-0(dimeglumine), Fosaprepitant Impurity 4 Dimeglumine
Related forms of this compound
[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol) C37H56F7N6O16P