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Chemical structure of (±)-MDL 105725

GB40045

(±)-MDL 105725

Also known as 3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-2-methoxyphenol

Active metabolite of MDL 100907·Both the active enantiomer (+)-MDL 105725 and less active enantiomer (-)-MDL 105725 are available as well

ChemicalCAS1018473-89-6MW359.43FormulaC21H26FNO3
CAS number
1018473-89-6
Molecular weight
359.43
Formula
C21H26FNO3
InChIKey
DVDGOKMQDYFKFY-UHFFFAOYSA-N
Catalogue number
GB40045
Brand
GLPBIO
Computed properties PubChem CID 22733848 · XLogP 3.5 · TPSA 52.9 Ų · H-bond donors 2
XLogP
3.5
TPSA
52.9 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26

SMILES COC1=C(C=CC=C1O)C(C2CCN(CC2)CCC3=CC=C(C=C3)F)O

Computed descriptors from PubChem (CID 22733848), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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