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Dasotraline (hydrochloride)

CAT: 0804-HY-12850A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12850A-01Size:5 mg
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Description
Dasotraline hydrochloride (SEP-225289 hydrochloride) is a triple reuptake inhibitor that blocks dopamine, norepinephrine, and serotonin transporters with IC50 values of 4, 6, and 11 nM, respectively.
CAS Number
675126-08-6
Product Name Alternative
SEP-225289 hydrochloride
UNSPSC
12352005
Target
Dopamine Transporter; Serotonin Transporter
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Dasotraline__hydrochloride_.html
Purity
99.04
Solubility
DMSO : ≥ 31 mg/mL|H2O : 1.61 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C3=CC=CC=C31.Cl[H]
Molecular Formula
C16H16Cl3N
Molecular Weight
328.66
References & Citations
[1]Guiard BP, et al. Characterization of the electrophysiological properties of triple reuptake inhibitors on monoaminergic neurons. Int J Neuropsychopharmacol. 2011 Mar;14 (2) :211-23.|[2]DeLorenzo C, et al. SEP-225289 serotonin and dopamine transporter occupancy: a PET study.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Dasotraline Hydrochloride
CAS Number675126-08-6
PubChem CID25192248
IUPAC Name(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molecular FormulaC16H16Cl3N
Molecular Weight328.7
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity309
SMILES
C1C[C@H](C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl)N.Cl
InChI
InChI=1S/C16H15Cl2N.ClH/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13;/h1-5,7,9,11,16H,6,8,19H2;1H/t11-,16+;/m0./s1
InChIKey
YKXHIERZIRLOLD-DFIJPDEKSA-N
Chemical Structure
2D Structure
2D structure of Dasotraline Hydrochloride
CAS: 675126-08-6
CID: 25192248
Formula: C16H16Cl3N
MW: 328.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass327.034833
Monoisotopic Mass327.034833
Topological Polar Surface Area26 Ų
Heavy Atom Count20
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS3846110-01Dasotraline hydrochloride
A21684-10Dasotraline hydrochloride 10mg
A21684-100Dasotraline hydrochloride 100mg
A21684-5Dasotraline hydrochloride 5mg
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