2-Hydroxy-N,N,N-trimethylethanaminium 3-{5-[(2,3-difluoro-6-methoxybenzyl)oxy]-2-fluoro-4-methoxyphenyl}-2,4-dioxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-5-carboxylate | CAS No. 1321816-57-2

2-Hydroxy-N,N,N-trimethylethanaminium 3-{5-[(2,3-difluoro-6-methoxybenzyl)oxy]-2-fluoro-4-methoxyphenyl}-2,4-dioxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-5-carboxylate

Basic Information

CAS Number

1321816-57-2

Molecular Formula

C27H28F3N3O8S

Molecular Weight

611.59 g/mol

AD

Basic Physical Properties

C1=CC(OC)=C(COC2C=C(C(F)=CC=2OC)N2C(C3=C(SC=C3NC2=O)C([O-])=O)=O)C(F)=C1F.C[N+](C)(C)CCO

InChI

1S/C22H15F3N2O7S.C5H14NO/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30;1-6(2,3)4-5-7/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30);7H,4-5H2,1-3H3/q;+1/p-1

InChIKey

IAIVRTFCYOGNBW-UHFFFAOYSA-M

Synonyms & References

English

  • Linzagolix choline
  • OBE 2109 choline
  • KLH 2109 choline

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