Nazwa analitu

Fosnetupitant-D6

Wzór cząsteczkowy

C31 D6 H29 F6 N4 O5 P

Masa cząsteczkowa

694.635

Dokładna masa

694.263

SMILES

[2H]C([2H])([2H])C(C(=O)N(C)c1cnc(cc1c2ccccc2C)N3CC[N+](C)(COP(=O)(O)[O-])CC3)(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C([2H])([2H])[2H]

InChI

InChI=1S/C31H35F6N4O5P/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45)/i2D3,3D3

IUPAC

[4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanoyl]-methylamino]-4-(2-methylphenyl)pyridin-2-yl]-1-methylpiperazin-1-ium-1-yl]methyl hydrogen phosphate

Nieoznakowany numer CAS

1703748-89-3

Typ SIL

Deuterium

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

Rodzaj produktu

Stable Isotope Labelled

Postać produktu

Neat