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Chemical structure of Taranabant racemate

GC37738

Taranabant racemate

Also known as N-[(2R,3R)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

Taranabant racemate (MK-0364 racemate) is an antagonist and/or inverse agonist of the Cannabinoid-1 (CB1) receptor extracted from patent WO 2004048317 A1

ChemicalCAS701977-00-6MW515.95FormulaC27H25ClF3N3O2
CAS number
701977-00-6
Molecular weight
515.95
Formula
C27H25ClF3N3O2
Solubility
DMSO ： 100 mg/mL (193·82 mM; Need ultrasonic)
InChIKey
QLYKJCMUNUWAGO-HXOBKFHXSA-N
Catalogue number
GC37738
Brand
GLPBIO
Computed properties PubChem CID 92979965 · XLogP 6.5 · TPSA 75 Ų · H-bond donors 1
XLogP
6.5
TPSA
75 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36

SMILES C[C@H]([C@H](CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)NC(=O)C(C)(C)OC3=NC=C(C=C3)C(F)(F)F

Computed descriptors from PubChem (CID 92979965), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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