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Chemical structure of (R)-Casopitant

GC69805

(R)-Casopitant

Also known as (2R,4R)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide

(R)-Casopitant ((R)-GW679769) is an isomer of Casopitant· Casopitant is an NK(1) receptor antagonist that can be used in the research of chemotherapy-induced nausea and vomiting

ChemicalCAS414910-26-2MW616.61FormulaC30H35F7N4O2
CAS number
414910-26-2
Molecular weight
616.61
Formula
C30H35F7N4O2
InChIKey
XGGTZCKQRWXCHW-DSSGHVNRSA-N
Catalogue number
GC69805
Brand
GLPBIO
Computed properties PubChem CID 51003178 · XLogP 5.3 · TPSA 47.1 Ų · H-bond donors 0
XLogP
5.3
TPSA
47.1 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
43

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)N4CCN(CC4)C(=O)C

Computed descriptors from PubChem (CID 51003178), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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