2',6'-Dimethylcarbonylphenyl 10-Methyl-9-acridinecarboxylate 4'-NHS Ester Triflate

Analyte Name

2',6'-Dimethylcarbonylphenyl 10-Methyl-9-acridinecarboxylate 4'-NHS Ester Triflate

Molecular Formula

C28 H23 N2 O6 . C F3 O3 S

Molecular Weight

632.56

Accurate Mass

632.1076

SMILES

Cc1cc(cc(C)c1OC(=O)c2c3ccccc3[n+](C)c4ccccc24)C(=O)ON5C(=O)CCC5=O.[O-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C28H23N2O6.CHF3O3S/c1-16-14-18(27(33)36-30-23(31)12-13-24(30)32)15-17(2)26(16)35-28(34)25-19-8-4-6-10-21(19)29(3)22-11-7-5-9-20(22)25;2-1(3,4)8(5,6)7/h4-11,14-15H,12-13H2,1-3H3;(H,5,6,7)/q+1;/p-1

IUPAC

[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2,6-dimethyl-phenyl] 10-methylacridin-10-ium-9-carboxylate;trifluoromethanesulfonate

Alternate CAS Number

Free base: 115853-73-1; Methylsulfate: 115853-74-2

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat