Dex-C2-rho

Molecular Formula: C49H57FN4O6S2


InChI: InChI=1/C49H57FN4O6S2/c1-28-20-39-36-12-8-30-22-34(55)16-17-45(30,2)48(36,50)42(56)25-46(39,3)49(28,58)43(57)27-62-19-18-51-44(61)52-31-9-13-35-29(21-31)26-59-47(35)37-14-10-32(53(4)5)23-40(37)60-41-24-33(54(6)7)11-15-38(41)47/h9-11,13-17,21-24,28,36,39,42,56,58H,8,12,18-20,25-27H2,1-7H3,(H2,51,52,61)/t28-,36u,39u,42+,45+,46+,48?,49+/m1/s1/f/h51-52H

InChIKey: InChIKey=OKOKCFYACFGLQH-JWADLUGMDD
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CSCCNC(=S)NC5=CC6=C(C=C5)C7(C8=C(C=C(C=C8)N(C)C)OC9=C7C=CC(=C9)N(C)C)OC6)O)C)O)F)C

Names:
    Dex-C2-rho
    N-(Dexamethasone 21-S-ethyl-2'-amino)tetramethylrhodamine
    N-(3',6'-Bis(dimethylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5(or 6)-yl)-N'-(2-(((11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl)thio)ethyl)thiourea
    Thiourea, N-(3',6'-bis(dimethylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5(or 6)-yl)-N'-(2-(((11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl)thio)ethyl)-
    3-[3',6'-bis(dimethylamino)spiro[3H-isobenzofuran-1,9'-xanthene]-5-yl]-1-[2-[2-[(10S,11S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl]sulfanylethyl]thiourea
    99143-17-6

Registries:
    PubChem CID 3033892
    PubChem ID 205243