Fosaprepitant dimeglumine
[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)
Molecular Identity
Fosaprepitant dimeglumine
[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)
PubChem CID: 135564864
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-).
2D Structure
Properties
C37H56F7N6O16P
Molecular Formula
1004.80
Molecular Weight
g/mol
1004.3379
Exact Mass
Da
350
TPSA
May have limited oral absorption
15
H-Bond Donors
27
H-Bond Acceptors
1130
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Fosaprepitant dimeglumine265121-04-8Fosaprepitant meglumineIvemendMK-0517FOCINVEZD35FM8T64XCHEBI:64311DTXSID50181095Emend for injectionD-GLUCITOL, 1-DEOXY-1-(METHYLAMINO)-, (3-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-4-MORPHOLINYL)METHYL)-2,5-DIHYDRO-5-OXO-1H-1,2,4-TRIAZOL-1-YL)PHOSPHONATE (2:1) (SALT)RefChem:57106DTXCID60103586Fosaprepitant dimeglumine saltFosaprepitant dimeglumine [USAN]
Data from PubChem (NCBI)
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