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Chemical structure of MDL 11,939

GC11119

MDL 11,939

Also known as phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol

MDL 11,939 (MDL11939) is a potent and selective antagonist for serotonin receptor 5-HT2A (Ki=2·89, 0·54 and 2·5 nM for rat 5-HT2A, rabbit 5-HT2A and human 5-HT2A, respectively)

ChemicalCAS107703-78-6MW295.42FormulaC20H25NO
CAS number
107703-78-6
Molecular weight
295.42
Formula
C20H25NO
Solubility
DMSO： 50mM,Ethanol： 50mM
InChIKey
AXNGJCOYCMDPQG-UHFFFAOYSA-N
Catalogue number
GC11119
Brand
GLPBIO
Computed properties PubChem CID 71781 · XLogP 3.8 · TPSA 23.5 Ų · H-bond donors 1
XLogP
3.8
TPSA
23.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
22

SMILES C1CN(CCC1C(C2=CC=CC=C2)O)CCC3=CC=CC=C3

Computed descriptors from PubChem (CID 71781), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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