Analyte Name

21-N-Dimethylcarbamic Thioanhydride Fluticasone Dimer Impurity

Molecular Formula

C45 H55 F4 N O9 S

Molecular Weight

861.978

Accurate Mass

861.353

SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O[C@@]5([C@H](C)C[C@H]6[C@@H]7C[C@H](F)C8=CC(=O)C=C[C@]8(C)[C@@]7(F)[C@@H](O)C[C@]56C)C(=O)SC(=O)N(C)C

InChI

InChI=1S/C45H55F4NO9S/c1-21-13-25-27-17-31(46)29-15-23(51)9-11-38(29,3)42(27,48)33(53)19-40(25,5)44(21,58)35(55)59-45(36(56)60-37(57)50(7)8)22(2)14-26-28-18-32(47)30-16-24(52)10-12-39(30,4)43(28,49)34(54)20-41(26,45)6/h9-12,15-16,21-22,25-28,31-34,53-54,58H,13-14,17-20H2,1-8H3/t21-,22-,25+,26+,27+,28+,31+,32+,33+,34+,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1

IUPAC

[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-17-(dimethylcarbamoylsulfanylcarbonyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat