Nome dell'analita

Celecoxib-13C6

Formula molecolare

13C6 C11 H14 F3 N3 O2 S

Peso molecolare

387.328

Massa accurata

387.096

SMILES

Cc1ccc(cc1)c2cc(nn2[13c]3[13cH][13cH][13c]([13cH][13cH]3)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)/i6+1,7+1,8+1,9+1,13+1,14+1

IUPAC

4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide

Tipologia SIL

Carbon

Temperatura di spedizione

Room Temperature

Paese di origine

CANADA

Tipologia prodotto

Stable Isotope Labelled

Formato del prodotto

Neat