Nombre del analito

(1'R,2S,3R)-Fosaprepitant Dimeglumine

Fórmula molecular

C37H56F7N6O16P

Peso molecular

1004.84

Masa exacta

1004.34

SMILES

FC1=CC=C([C@H]2N(CC(N3)=NN(P(O)(O)=O)C3=O)CCO[C@H]2O[C@H](C)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C=C1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC

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

IUPAC

(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol hemi((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)phosphonate)

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat