Dasotraline HydrochlorideProduct ingredient for Dasotraline

Name
Dasotraline Hydrochloride
Drug Entry
Dasotraline

Dasotraline is a serotonin, norepinephrine and dopamine reuptake inhibitor (SNDRI) that is under investigation for the treatment of Binge Eating Disorder, Adult Attention Hyperactivity Disorder, Attention Deficit Hyperactivity Disorder, and Adult Attention Deficit Hyperactivity Disorder.

Accession Number
DBSALT002174
Structure
Thumb
Synonyms
Not Available
UNII
1VIY7J4C0I
CAS Number
675126-08-6
Weight
Average: 328.66
Monoisotopic: 327.0348326
Chemical Formula
C16H16Cl3N
InChI Key
YKXHIERZIRLOLD-DFIJPDEKSA-N
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
IUPAC Name
(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
SMILES
Cl.N[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=CC=C12
ChemSpider
23976010
ChEMBL
CHEMBL3301596
Predicted Properties
PropertyValueSource
Water Solubility9.79e-05 mg/mLALOGPS
logP4.92ALOGPS
logP4.72ChemAxon
logS-6.5ALOGPS
pKa (Strongest Basic)9.52ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.02 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity80.97 m3·mol-1ChemAxon
Polarizability30.29 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon