Compound Summary
Compound Information
ICI 204,448 hydrochloride
Compound Name: | ICI 204,448 hydrochloride |
Compound CID: | 129407 |
Synonyms: | ICI 204,448 hydrochloride 121264-04-8 ICI-204,448 hydrochloride Ici-204448 2-3-1-2-(3,4-dichlorophenyl)acetyl-methylamino-2-pyrrolidin-1-ylethylphenoxyacetic acid;hydrochloride More... |
Iupac Name: | 2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid;hydrochloride |
InChI: | InChI=1S/C23H26Cl2N2O4.ClH/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);1H |
InChIKey: | FNDGLVOYAQNQPE-UHFFFAOYSA-N |
Canonical Smiles: | CN(C(CN1CCCC1)C2=CC(=CC=C2)OCC(=O)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl |
Isomeric Smiles: | CN(C(CN1CCCC1)C2=CC(=CC=C2)OCC(=O)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl |
Molecular Weight: | 501.8 |
Molecular Formula: | C23H27Cl3N2O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
ICI 204,448 hydrochloride
Molecular Weight: | 501.8 |
Molecular Formula: | C23H27Cl3N2O4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 32 |
Complexity: | 602 |
Synonyms
ICI 204,448 hydrochloride
| ICI 204,448 hydrochloride | ICI 204,448 hydrochloride |
|---|---|
ICI 204,448 hydrochloride |
121264-04-8 |
ICI-204,448 hydrochloride |
Ici-204448 |
2-3-1-2-(3,4-dichlorophenyl)acetyl-methylamino-2-pyrrolidin-1-ylethylphenoxyacetic acid;hydrochloride |
MLS002153186 |
(RS)-3-1-(3,4-Dichlorophenyl)acetylmethylamino-2-(1-pyrrolidinyl)ethylphenoxyacetic acid hydrochloride |
ICI-204,448 |
SR-01000075504 |
SMR001230677 |
SCHEMBL3167955 |
CHEMBL1256750 |
4,4-(2-ACETYL-1,3-GLYCEROL)BISANHYDRO MELLITATE |
DTXSID20923747 |
Tox21_500704 |
ICI 204,448 hydrochloride, solid |
MFCD00153814 |
AKOS024458659 |
CCG-222008 |
LP00704 |
N(1)-(2-(N-Methyl-3,4-dichlorophenylacetamido)-2-(3-carboxyphenyl)ethyl)pyrrolidine |
NCGC00094056-01 |
NCGC00261389-01 |
R,S-3-1-(3,4-Dichlorophenyl)acetylmethylamino-2-(1-pyrrolidinyl)ethyl phenoxy-acetic acid hydrochloride |
EU-0100704 |
I-122 |
J-004474 |
SR-01000075504-1 |
SR-01000075504-3 |
Acetic acid, (3-(1-(((3,4-dichlorophenyl)acetyl)methylamino)-2-(1-pyrrolidinyl)ethyl)phenoxy)-, monohydrochloride, (+-)- |
Experimental Data
ICI 204,448 hydrochloride
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -4 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
ICI 204,448 hydrochloride
Statistics Data
ICI 204,448 hydrochloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4 | 1 | 1 |
Statistics Data Visualization
ICI 204,448 hydrochloride
