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Chemical structure of T 98475

GC15861

T 98475

Also known as propan-2-yl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate

gonadotropin-releasing hormone (GnRH, LHRH) receptor antagonist,orally active

ChemicalCAS199119-18-1MW657.77FormulaC37H37F2N3O4S
CAS number
199119-18-1
Molecular weight
657.77
Formula
C37H37F2N3O4S
Solubility
＜32·89mg/ml in DMSO
InChIKey
RANJJVIMTOIWIN-UHFFFAOYSA-N
Catalogue number
GC15861
Brand
GLPBIO
Computed properties PubChem CID 9874838 · XLogP 7.5 · TPSA 107 Ų · H-bond donors 1
XLogP
7.5
TPSA
107 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
47

SMILES CC(C)C(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C=C(C3=O)C(=O)OC(C)C)CC4=C(C=CC=C4F)F)CN(C)CC5=CC=CC=C5

Computed descriptors from PubChem (CID 9874838), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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