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Chemical structure of MDL 72222

GC14083

MDL 72222

Also known as [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate

MDL 72222 (MDL 72222) is a selective 5-HT3 receptor antagonist with an IC50 of 0·33 nM

ChemicalCAS40796-97-2MW314.21FormulaC15H17Cl2NO2
CAS number
40796-97-2
Molecular weight
314.21
Formula
C15H17Cl2NO2
Solubility
Soluble to 100 mM in DMSO
InChIKey
MNJNPLVXBISNSX-PBWFPOADSA-N
Catalogue number
GC14083
Brand
GLPBIO
Computed properties PubChem CID 671690 · XLogP 4.2 · TPSA 29.5 Ų · H-bond donors 0
XLogP
4.2
TPSA
29.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20

SMILES CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl

Computed descriptors from PubChem (CID 671690), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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