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Chemical structure of (+)-MDL 105725 - MDL 105725

GB40040

(+)-MDL 105725 - MDL 105725

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

Active metabolite of MDL 100907 , a selective 5-HT2A antagonist; Precursor for [11C]MDL100907·Both the racemate (±)-MDL 105725 and less active enantiomer (-)-MDL 105725 are available as well

ChemicalCAS189192-18-5MW359.43FormulaC21H26FNO3
CAS number
189192-18-5
Molecular weight
359.43
Formula
C21H26FNO3
InChIKey
DVDGOKMQDYFKFY-HXUWFJFHSA-N
Catalogue number
GB40040
Brand
GLPBIO
Computed properties PubChem CID 9906851 · 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@@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O

Computed descriptors from PubChem (CID 9906851), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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