User:Hammer q/Sofinicline

Sofinicline
Clinical data
Other names	ABT-894, sofinicline besylate
Routes of; administration	Oral
Identifiers
	IUPAC name (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane;
CAS Number	799279-80-4 ;
PubChem CID	10131048;
PubChem SID	500827588;
DrugBank	DB12527 ;
ChemSpider	8306563 ;
UNII	SQC232V4YY;
KEGG	D09382 ;
Chemical and physical data
Formula	C10H11Cl2N3
Molar mass	244.12 g·mol−1
3D model (JSmol)	Interactive image;
Density	1.406 ± 0.06 g/cm3
Boiling point	417.350 ± 45.00 °C (783.230 ± 81.000 °F) Predicted
Solubility in water	2 g/L
	SMILES C1[C@H]2CN(C[C@H]2N1)C3=CC(=C(N=C3)Cl)Cl;
	InChI InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1; Key:MBQYQLWSBRANKQ-IMTBSYHQSA-N;

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Sofinicline is an investigational non-stimulant drug for the treatment of ADHD. It is a nicotinic acetylcholine receptor (nAChR) α4β2 agonist.^[1]

References

^ Fleisher C, McGough J (August 2014). "Sofinicline: a novel nicotinic acetylcholine receptor agonist in the treatment of attention-deficit/hyperactivity disorder". Expert Opinion on Investigational Drugs. 23 (8): 1157–1163. doi:10.1517/13543784.2014.934806. PMID 24965900.

External links

[1] Fleisher C, McGough J (August 2014). "Sofinicline: a novel nicotinic acetylcholine receptor agonist in the treatment of attention-deficit/hyperactivity disorder". Expert Opinion on Investigational Drugs. 23 (8): 1157–1163. doi:10.1517/13543784.2014.934806. PMID 24965900.

[1]

Clinical data

Other names	ABT-894, sofinicline besylate
Routes of administration	Oral
Identifiers
IUPAC name (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane
CAS Number	799279-80-4^Y
PubChem CID	10131048
PubChem SID	500827588
DrugBank	DB12527^Y
ChemSpider	8306563^Y
UNII	SQC232V4YY
KEGG	D09382^Y
Chemical and physical data
Formula	C₁₀H₁₁Cl₂N₃
Molar mass	244.12 g·mol⁻¹
3D model (JSmol)	Interactive image
Density	1.406 ± 0.06 g/cm³
Boiling point	417.350 ± 45.00 °C (783.230 ± 81.000 °F) Predicted
Solubility in water	2 g/L
SMILES C1[C@H]2CN(C[C@H]2N1)C3=CC(=C(N=C3)Cl)Cl
InChI InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1 Key:MBQYQLWSBRANKQ-IMTBSYHQSA-N