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Chemical structure of Linzagolix

GC63884

Linzagolix

Also known as 3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid

Linzagolix (KLH-2109; OBE-2109) is a potent, non-peptide, and orally active GnRH antagonist

ChemicalCAS935283-04-8MW508.42FormulaC22H15F3N2O7S
CAS number
935283-04-8
Molecular weight
508.42
Formula
C22H15F3N2O7S
Solubility
DMSO ： 125 mg/mL (245·86 mM; Need ultrasonic)
InChIKey
BMAAMIIYNNPHAB-UHFFFAOYSA-N
Catalogue number
GC63884
Brand
GLPBIO
Computed properties PubChem CID 16656889 · XLogP 3.4 · TPSA 143 Ų · H-bond donors 2
XLogP
3.4
TPSA
143 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
35

SMILES COC1=C(C(=C(C=C1)F)F)COC2=C(C=C(C(=C2)N3C(=O)C4=C(SC=C4NC3=O)C(=O)O)F)OC

Computed descriptors from PubChem (CID 16656889), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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