PNU-181731

PNU-181731
Identifiers
	IUPAC name 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole;
CAS Number	364344-56-9 ;
PubChem CID	9794092;
ChemSpider	7969859;
UNII	UVL6VJD7YC;
CompTox Dashboard (EPA)	DTXSID201045564 ;
Chemical and physical data
Formula	C12H14N2
Molar mass	186.258 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C12=CC=CC=C1N3C(CCNCC3)=C2;
	InChI InChI=1S/C12H14N2/c1-2-4-12-10(3-1)9-11-5-6-13-7-8-14(11)12/h1-4,9,13H,5-8H2; Key:XORPZYQOYUSNCQ-UHFFFAOYSA-N;

PNU-181731 is a drug which acts as an agonist at serotonin 5-HT₂ receptors, with strongest binding affinity for the 5-HT_2C subtype at 4.8nM, and weaker 5-HT_2A affinity of 18nM. It has anxiolytic effects in animal studies with around one tenth the potency of alprazolam and no significant ataxia or other side effects noted.

Identifiers

IUPAC name 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole
CAS Number	364344-56-9^Y
PubChem CID	9794092
ChemSpider	7969859
UNII	UVL6VJD7YC
CompTox Dashboard (EPA)	DTXSID201045564
Chemical and physical data
Formula	C₁₂H₁₄N₂
Molar mass	186.258 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C12=CC=CC=C1N3C(CCNCC3)=C2
InChI InChI=1S/C12H14N2/c1-2-4-12-10(3-1)9-11-5-6-13-7-8-14(11)12/h1-4,9,13H,5-8H2 Key:XORPZYQOYUSNCQ-UHFFFAOYSA-N