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Chemical structure of Setipiprant

GC19327

Setipiprant

Also known as 2-[8-fluoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid

Setipiprant is an orally available, selective CRTH2 antagonist

ChemicalCAS866460-33-5MW402.42FormulaC24H19FN2O3
CAS number
866460-33-5
Molecular weight
402.42
Formula
C24H19FN2O3
Solubility
DMSO ： ≥ 36 mg/mL (89·46 mM)
InChIKey
IHAXLPDVOWLUOS-UHFFFAOYSA-N
Catalogue number
GC19327
Brand
GLPBIO
Computed properties PubChem CID 49843471 · XLogP 4.1 · TPSA 62.5 Ų · H-bond donors 1
XLogP
4.1
TPSA
62.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30

SMILES C1CN(CC2=C1N(C3=C2C=C(C=C3)F)CC(=O)O)C(=O)C4=CC=CC5=CC=CC=C54

Computed descriptors from PubChem (CID 49843471), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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