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Chemical structure of Amitifadine hydrochloride (DOV-21947 hydrochloride)

GC30981

Amitifadine hydrochloride (DOV-21947 hydrochloride)

Also known as (1R,5S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

Amitifadine hydrochloride (DOV-21947 hydrochloride) is a serotonin-norepinephrine-dopamine reuptake inhibitor (SNDRI), with IC50s of 12, 23, 96 nM for serotonin, norepinephrine and dopamine in HEK 293 cells , respectively

ChemicalCAS410074-74-7MW264.58FormulaC11H12Cl3N
CAS number
410074-74-7
Molecular weight
264.58
Formula
C11H12Cl3N
Solubility
DMSO ： ≥ 100 mg/mL (377·96 mM)
InChIKey
KAGBHVBIOJBGBD-NINOIYOQSA-N
Catalogue number
GC30981
Brand
GLPBIO
Computed properties PubChem CID 11680542 · TPSA 12 Ų · H-bond donors 2 · H-bond acceptors 1
TPSA
12 Ų
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
15

SMILES C1[C@H]2[C@@]1(CNC2)C3=CC(=C(C=C3)Cl)Cl.Cl

Computed descriptors from PubChem (CID 11680542), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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