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Chemical structure of N-desmethyl U-47700

GC41600

N-desmethyl U-47700

Also known as 3,4-dichloro-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]benzamide

N-desmethyl U-47700 is an analytical reference material categorized as an opioid

ChemicalCAS67579-73-1MW315.2FormulaC15H20Cl2N2O
CAS number
67579-73-1
Molecular weight
315.2
Formula
C15H20Cl2N2O
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
UOLMIGVJKXDEGR-ZIAGYGMSSA-N
Catalogue number
GC41600
Brand
GLPBIO
Computed properties PubChem CID 129390993 · XLogP 3.5 · TPSA 32.3 Ų · H-bond donors 1
XLogP
3.5
TPSA
32.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20

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

Computed descriptors from PubChem (CID 129390993), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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