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Chemical structure of NK1 receptor antagonist 2

GC69568

NK1 receptor antagonist 2

Also known as (2R,4R)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide

NK1 receptor antagonist 2 is an NK1 receptor antagonist· It can be used for research on tinnitus and hearing loss

ChemicalCAS579475-17-5MW628.62FormulaC31H35F7N4O2
CAS number
579475-17-5
Molecular weight
628.62
Formula
C31H35F7N4O2
InChIKey
XWNBGDJPEXZSQM-QSEFLHEVSA-N
Catalogue number
GC69568
Brand
GLPBIO
Computed properties PubChem CID 24969015 · XLogP 5.4 · TPSA 47.1 Ų · H-bond donors 0
XLogP
5.4
TPSA
47.1 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
44

SMILES CC1=C(C=CC(=C1)F)[C@H]2C[C@@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5[C@H](C4)CCC5=O

Computed descriptors from PubChem (CID 24969015), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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