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Chemical structure of Befetupitant

GC33724

Befetupitant

Also listed as Befetupitant (Ro67-5930)

Befetupitant (Ro67-5930) is a high-affinity, nonpeptide, competitive tachykinin 1 receptor (NK1R) antagonist

ChemicalCAS290296-68-3MW565.55FormulaC29H29F6N3O2
CAS number
290296-68-3
Molecular weight
565.55
Formula
C29H29F6N3O2
Solubility
Soluble in DMSO
InChIKey
ZGNPLCMMVKCTHM-UHFFFAOYSA-N
Catalogue number
GC33724
Brand
GLPBIO
Computed properties PubChem CID 6450815 · XLogP 6.6 · TPSA 45.7 Ų · H-bond donors 0
XLogP
6.6
TPSA
45.7 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
40

SMILES CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4

Computed descriptors from PubChem (CID 6450815), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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