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Chemical structure of Vofopitant

GC33747

Vofopitant

Also listed as Vofopitant (GR 205171)

Vofopitant (GR 205171) is potent tachykinin NK1 receptor antagonist, with pKis of 10·6, 9·5, and 9·8 for human, rat and ferret NK1 receptor, respectively

ChemicalCAS168266-90-8MW432.44FormulaC21H23F3N6O
CAS number
168266-90-8
Molecular weight
432.44
Formula
C21H23F3N6O
Solubility
Soluble in DMSO
InChIKey
XILNRORTJVDYRH-HKUYNNGSSA-N
Catalogue number
GC33747
Brand
GLPBIO
Computed properties PubChem CID 6918331 · XLogP 3.1 · TPSA 76.9 Ų · H-bond donors 2
XLogP
3.1
TPSA
76.9 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
31

SMILES COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4

Computed descriptors from PubChem (CID 6918331), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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