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
CAS: 265121-04-8
Name: fosaprepitant dimeglumine
IUPAC: [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)
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
Canonical SMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O
Summenformel: C37H56F7N6O16P
Molare Masse: 1004.80
InChIKey: VRQHBYGYXDWZDL-OOZCZQCLSA-N
InChI: InChI=1S/C23H22F7N4O6P.2C7H17NO5/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38);2*4-13H,2-3H2,1H3/t12-,19+,20-;2*4-,5+,6+,7+/m100/s1
PubChem CID: 135564864 →

Synonyme

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]Fosaprepitant (dimeglumine)MFCD23102059(2R,3R,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol ((3-(((2R,3S)-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)phosphonate)(2:1)Fosaprepitant meglumine (JAN)Fosaprepitant dimeglumine (USAN)FOSAPREPITANT MEGLUMINE [JAN]C37H56F7N6O16P(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol hemi((3-(((2R,3S)-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)phosphonate)UNII-D35FM8T64XProemend (TN)Fosaprepitant dimeglumine?FosaprepitantdimegluminesaltFosaprepitant (as dimeglumine)orb1307445CHEMBL1201782
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