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Chemical structure of Fosnetupitant Chloride Hydrochloride

GC26490

Fosnetupitant Chloride Hydrochloride

Also listed as Fosnetupitant chloride monohydrochloride

Fosnetupitant chloride monohydrochloride (Pronetupitant chloride monohydrochloride) is an NK1 antagonist with pKi values of 9·5, 6·1 for human NK1 and NK3 receptor, respectively· Fosnetupitant chloride monohydrochloride is a methylene phosphate prodrug of Netupitant

ChemicalCAS1643757-72-5MW761.52FormulaC31H37Cl2F6N4O5P
CAS number
1643757-72-5
Molecular weight
761.52
Formula
C31H37Cl2F6N4O5P
Solubility
DMSO : 100 mg/mL
InChIKey
LBTQUZNIWCWBNN-UHFFFAOYSA-N
Catalogue number
GC26490
Brand
GLPBIO
Computed properties PubChem CID 86764535 · TPSA 103 Ų · H-bond donors 3 · H-bond acceptors 14
TPSA
103 Ų
H-bond donors
3
H-bond acceptors
14
Rotatable bonds
8
Heavy atoms
49

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)N4CC[N+](CC4)(C)COP(=O)(O)O.Cl.[Cl-]

Computed descriptors from PubChem (CID 86764535), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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