1-Deoxy-1-(methylamino)-D-glucitol (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)m ethyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl)phosphonate

cas: 265121-04-8 — see every product listed under this CAS number, including other names

1-Deoxy-1-(methylamino)-D-glucitol (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)m ethyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl)phosphonate (CAS 265121-04-8) is a chemical reagent available from Chemat. Available pack sizes: 250mg, 100mg, 500mg, 1000mg, 2000mg. Offered by: Biosynth.

brandBiosynth
catalog numberFD46503-250mg
cas265121-04-8
size250mg
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properties

categoryResearch Chemicals
purityNo data
delivery time1-2 weeks
Structural formula: {0} (CAS {1})

Fosaprepitant dimeglumine is an organoammonium salt obtained by reaction of fosaprepitant with two equivalents of 1-deoxy-1-(methylamino)-D-glucitol. A substance P/neurokinin 1 (NK1) receptor antagonist. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT3), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting and postoperative nausea and vomiting. It has a role as a prodrug, an antiemetic and a neurokinin-1 receptor antagonist. It contains a fosaprepitant(2-).

Source: ChEBI

Identity
Molecular formulaC37H56F7N6O16P
Molecular weight1004.8 g/mol
IUPAC name[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)
InChIKeyVRQHBYGYXDWZDL-OOZCZQCLSA-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)

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