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Chemical structure of Dasotraline

GC19117

Dasotraline

Also known as (1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

Dasotraline is a triple reuptake inhibitor that blocks dopamine, norepinephrine, and serotonin transporters with IC50 values of 4, 6, and 11 nM, respectively

ChemicalCAS675126-05-3MW292.2FormulaC16H15Cl2N
CAS number
675126-05-3
Molecular weight
292.2
Formula
C16H15Cl2N
Solubility
DMSO ： ≥ 31 mg/mL (106·09 mM)
InChIKey
SRPXSILJHWNFMK-MEDUHNTESA-N
Catalogue number
GC19117
Brand
GLPBIO
Computed properties PubChem CID 9947999 · XLogP 4.3 · TPSA 26 Ų · H-bond donors 1
XLogP
4.3
TPSA
26 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
19

SMILES C1C[C@H](C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl)N

Computed descriptors from PubChem (CID 9947999), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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