Compound Summary
Compound Information
ICI 118,551 hydrochloride
Compound Name: | ICI 118,551 hydrochloride |
Compound CID: | 25102594 |
Synonyms: | ICI 118,551 hydrochloride 72795-01-8 threo-ICI 118551 Hydrochloride 72795-04-1 ICI 118551 Hydrochloride More... |
Iupac Name: | (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol;hydrochloride |
InChI: | InChI=1S/C17H27NO2.ClH/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17;/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3;1H/t13-,16-;/m0./s1 |
InChIKey: | KBXMBGWSOLBOQM-LINSIKMZSA-N |
Canonical Smiles: | CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O.Cl |
Isomeric Smiles: | CC1=C2CCCC2=C(C=C1)OC[C@@H]([C@H](C)NC(C)C)O.Cl |
Molecular Weight: | 313.9 |
Molecular Formula: | C17H28ClNO2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
ICI 118,551 hydrochloride
Molecular Weight: | 313.9 |
Molecular Formula: | C17H28ClNO2 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 21 |
Complexity: | 295 |
Synonyms
ICI 118,551 hydrochloride
| ICI 118,551 hydrochloride | ICI 118,551 hydrochloride |
|---|---|
ICI 118,551 hydrochloride |
72795-01-8 |
threo-ICI 118551 Hydrochloride |
72795-04-1 |
ICI 118551 Hydrochloride |
(2R,3S)-1-(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy-3-(propan-2-ylamino)butan-2-ol;hydrochloride |
MLS002153415 |
CHEMBL1571692 |
AKOS030242891 |
AS-58412 |
SMR001230791 |
ICI 118,551 hydrochloride, >=98% (HPLC), powder |
(2R,3S)-1-(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy-3-(propan-2-yl)aminobutan-2-ol hydrochloride |
Experimental Data
ICI 118,551 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 | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
ICI 118,551 hydrochloride
Statistics Data
ICI 118,551 hydrochloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
ICI 118,551 hydrochloride
