Dex-ncs

Molecular Formula: C₂₅H₃₂FNO₄S₂

InChI: InChI=1/C25H32FNO4S2/c1-15-10-19-18-5-4-16-11-17(28)6-7-22(16,2)24(18,26)20(29)12-23(19,3)25(15,31)21(30)13-33-9-8-27-14-32/h6-7,11,15,18-20,29,31H,4-5,8-10,12-13H2,1-3H3/t15-,18+,19+,20+,22+,23+,24+,25+/m1/s1

InChIKey: InChIKey=WTZZZLTVUGGSLC-DCWIGXARBB
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CSCCN=C=S)O)C)O)F)C

Names:
    Dexamethasone 21-(beta-isothiocyanatoethyl)thioether
    Dex-ncs
    (8S,9S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-[2-(2-isothiocyanatoethylsulfanyl)acetyl]-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    131567-23-2

Registries:
    PubChem CID 63056
    PubChem ID 205245