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Relugolix-[d6]

General Information
Catalog: BLP-015263
Molecular Formula: C29H21D6F2N7O5S
Molecular Weight: 629.67
Chemical Structure
Relugolix-[d6]
Description Labelled Relugolix. Relugolix, also known as TAK-385, is a luteinizing hormone-releasing hormone (LH-RH) receptor antagonist administered orally.
Synonyms Relugolix-d6; 1-(4-(5-((Bis(methyl-d3)amino)methyl)-1-(2,6-difluorobenzyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-3-methoxyurea
IUPAC Name 1-[4-[5-[[bis(trideuteriomethyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Related CAS 737789-87-6 (unlabelled)
Canonical SMILES [2H]C([2H])([2H])N(CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=C(C=CC=C3F)F)C4=NN=C(C=C4)OC)C5=CC=C(C=C5)NC(=O)NOC)C([2H])([2H])[2H]
InChI InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)/i1D3,2D3
InChI Key AOMXMOCNKJTRQP-WFGJKAKNSA-N

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