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Substance Name: Dexamethasone 21-(beta-isothiocyanatoethyl)thioether
RN: 131567-23-2
InChIKey: WTZZZLTVUGGSLC-DCWIGXARSA-N

Note

  • Affinity label for glucocorticoid receptors.

Molecular Formula

  • C25-H32-F-N-O4-S2

Molecular Weight

  • 493.661
 
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Names and Synonyms

Name of Substance

  • Dexamethasone 21-(beta-isothiocyanatoethyl)thioether

Synonym

  • Dex-ncs

Registry Numbers

CAS Registry Number

  • 131567-23-2

System Generated Number

  • 0131567232

Structure Descriptors

InChI

1S/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

WTZZZLTVUGGSLC-DCWIGXARSA-N

Smiles

C=1C(=O)C=C2[C@@](C)(C1)[C@@]1([C@@H](CC2)[C@H]2[C@]([C@]([C@@H](C2)C)(C(CSCCN=C=S)=O)O)(C)C[C@@H]1O)F