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Chemical structure of N,N-didesmethyl U-47700 (trifluoroacetate salt)

GC44276

N,N-didesmethyl U-47700 (trifluoroacetate salt)

Also known as N-[(1R,2R)-2-aminocyclohexyl]-3,4-dichloro-N-methylbenzamide;2,2,2-trifluoroacetic acid

N,N-didesmethyl U-47700 (trifluoroacetate salt) is an analytical reference material categorized as an opioid

ChemicalCAS2708579-41-1MW415.2FormulaC14H18Cl2N2O•CF3COOH
CAS number
2708579-41-1
Molecular weight
415.2
Formula
C14H18Cl2N2O•CF3COOH
Solubility
DMF： 20 mg/ml,DMF：PBS (pH 7·2)(1：3)： 0·25 mg/ml,DMSO： 10 mg/ml,Ethanol： 10 mg/ml
InChIKey
UJUPTVGXIGIIGU-OJERSXHUSA-N
Catalogue number
GC44276
Brand
GLPBIO
Computed properties PubChem CID 137699927 · TPSA 83.6 Ų · H-bond donors 2 · H-bond acceptors 7
TPSA
83.6 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
26

SMILES CN([C@@H]1CCCC[C@H]1N)C(=O)C2=CC(=C(C=C2)Cl)Cl.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 137699927), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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