ICI-199,441

ICI-199,441
Identifiers
	IUPAC name 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;
CAS Number	116508-24-8 ;
PubChem CID	3082718;
IUPHAR/BPS	11691;
ChemSpider	2340095 ;
UNII	Q5R50X7L6M;
ChEMBL	ChEMBL38576 ;
CompTox Dashboard (EPA)	DTXSID101029523 DTXSID60921646, DTXSID101029523 ;
Chemical and physical data
Formula	C21H24Cl2N2O
Molar mass	391.34 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN([C@H](CN1CCCC1)c2ccccc2)C(=O)Cc3ccc(c(c3)Cl)Cl;
	InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1 ; Key:AEJOEPSMZCEYJN-HXUWFJFHSA-N ;
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ICI-199,441 is a drug which acts as a potent and selective κ-opioid agonist, and has analgesic effects. It is a biased agonist of the KOR, and is one of relatively few KOR ligands that is G protein-biased rather than β-arrestin-biased.

Identifiers

IUPAC name 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CAS Number	116508-24-8^Y
PubChem CID	3082718
IUPHAR/BPS	11691
ChemSpider	2340095^N
UNII	Q5R50X7L6M
ChEMBL	ChEMBL38576^N
CompTox Dashboard (EPA)	DTXSID101029523 DTXSID60921646, DTXSID101029523
Chemical and physical data
Formula	C₂₁H₂₄Cl₂N₂O
Molar mass	391.34 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CN([C@H](CN1CCCC1)c2ccccc2)C(=O)Cc3ccc(c(c3)Cl)Cl
InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1^N Key:AEJOEPSMZCEYJN-HXUWFJFHSA-N^N
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