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Chemical structure of MDL 100151 - MDL 100907

GB40273

MDL 100151 - MDL 100907

Also known as (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol

Selective 5-HT2A antagonist; rac-M 100907, its more active enantiomer is (+)-MDL 100907 ; Reference standard for [11C]MDL100907 in PET/SPECT study

ChemicalCAS139290-69-0MW373.46FormulaC22H28FNO3
CAS number
139290-69-0
Molecular weight
373.46
Formula
C22H28FNO3
InChIKey
HXTGXYRHXAGCFP-UHFFFAOYSA-N
Catalogue number
GB40273
Brand
GLPBIO
Computed properties PubChem CID 60858 · XLogP 3.9 · TPSA 41.9 Ų · H-bond donors 1
XLogP
3.9
TPSA
41.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27

SMILES COC1=CC=CC(=C1OC)C(C2CCN(CC2)CCC3=CC=C(C=C3)F)O

Computed descriptors from PubChem (CID 60858), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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