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Chemical structure of GR 159897

GC16408

GR 159897

Also known as 3-[2-[4-(benzenesulfinylmethyl)-4-methoxypiperidin-1-yl]ethyl]-5-fluoro-1H-indole

neurokinin NK2 receptor antagonist,orally active

ChemicalCAS158848-32-9MW414.54FormulaC23H27FN2O2S
CAS number
158848-32-9
Molecular weight
414.54
Formula
C23H27FN2O2S
Solubility
30mg/ml in DMSO
InChIKey
BANYJBHWTOJQDU-UHFFFAOYSA-N
Catalogue number
GC16408
Brand
GLPBIO
Computed properties PubChem CID 3570748 · XLogP 3.4 · TPSA 64.5 Ų · H-bond donors 1
XLogP
3.4
TPSA
64.5 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29

SMILES COC1(CCN(CC1)CCC2=CNC3=C2C=C(C=C3)F)CS(=O)C4=CC=CC=C4

Computed descriptors from PubChem (CID 3570748), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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