2-Iodomelatonin

2-Iodomelatonin
Identifiers
	IUPAC name N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide;
CAS Number	93515-00-5 ;
PubChem CID	115348;
IUPHAR/BPS	1343;
DrugBank	DB08190;
ChemSpider	103191;
UNII	2Q5TZ5754A;
ChEBI	CHEBI:109558;
ChEMBL	ChEMBL289233;
CompTox Dashboard (EPA)	DTXSID30239462 ;
Chemical and physical data
Formula	C13H15IN2O2
Molar mass	358.179 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I;
	InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17); Key:FJDDSMSDZHURBJ-UHFFFAOYSA-N;

2-Iodomelatonin is a melatonin analog used as a radiolabelled ligand for the melatonin receptors, MT₁, MT₂, and MT₃. It acts as a full agonist at both MT₁ and MT₂ receptors.

Identifiers

IUPAC name N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CAS Number	93515-00-5^Y
PubChem CID	115348
IUPHAR/BPS	1343
DrugBank	DB08190
ChemSpider	103191
UNII	2Q5TZ5754A
ChEBI	CHEBI:109558
ChEMBL	ChEMBL289233
CompTox Dashboard (EPA)	DTXSID30239462
Chemical and physical data
Formula	C₁₃H₁₅IN₂O₂
Molar mass	358.179 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I
InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) Key:FJDDSMSDZHURBJ-UHFFFAOYSA-N