ICI-204,448

ICI-204,448
Identifiers
	IUPAC name 2-(3-[1-([2-(3,4-dichlorophenyl)acetyl]-methylamino)-2-pyrrolidin-1-ylethyl]phenoxy)acetic acid;
CAS Number	121264-04-8 ;
PubChem CID	3683;
IUPHAR/BPS	1650;
ChemSpider	3555 ;
ChEBI	CHEBI:91666 ;
ChEMBL	ChEMBL23472 ;
CompTox Dashboard (EPA)	DTXSID20923747 ;
Chemical and physical data
Formula	C23H26Cl2N2O4
Molar mass	465.37 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C2CCCN2CC(c(ccc3)cc3OCC(O)=O)N(C)C(=O)Cc(cc1Cl)ccc1Cl;
	InChI InChI=1S/C23H26Cl2N2O4/c1-26(22(28)12-16-7-8-19(24)20(25)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)31-15-23(29)30/h4-8,11,13,21H,2-3,9-10,12,14-15H2,1H3,(H,29,30) ; Key:JKYJSFISYHSNOE-UHFFFAOYSA-N ;
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ICI-204,448 is a drug which acts as a potent and peripherally selective κ-opioid agonist, with possible uses in the treatment of heart attack as well as anti-itching effects. It is used in research to distinguish centrally from peripherally mediated kappa opioid receptor effects.

Identifiers

IUPAC name 2-(3-[1-([2-(3,4-dichlorophenyl)acetyl]-methylamino)-2-pyrrolidin-1-ylethyl]phenoxy)acetic acid
CAS Number	121264-04-8^Y
PubChem CID	3683
IUPHAR/BPS	1650
ChemSpider	3555^N
ChEBI	CHEBI:91666^N
ChEMBL	ChEMBL23472^N
CompTox Dashboard (EPA)	DTXSID20923747
Chemical and physical data
Formula	C₂₃H₂₆Cl₂N₂O₄
Molar mass	465.37 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C2CCCN2CC(c(ccc3)cc3OCC(O)=O)N(C)C(=O)Cc(cc1Cl)ccc1Cl
InChI InChI=1S/C23H26Cl2N2O4/c1-26(22(28)12-16-7-8-19(24)20(25)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)31-15-23(29)30/h4-8,11,13,21H,2-3,9-10,12,14-15H2,1H3,(H,29,30)^N Key:JKYJSFISYHSNOE-UHFFFAOYSA-N^N
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