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| | ICI-118,551 Basic information |
| Product Name: | ICI-118,551 | | Synonyms: | 2-Butanol, 1-((2,3-dihydro-7-methyl-1H-inden-4-yl)oxy)-3-((1-methylethyl)amino)-, (2R,3S)-rel-;2-Butanol, 1-((2,3-dihydro-7-methyl-1H-inden-4-yl)oxy)-3-((1-methylethyl)amino)-, (R*,S*)-(+-)-;Erythro-DL-1-(7-methylindan-4-yloxy)-3-isopropylaminobutan-2-ol;Ici 111,581;(2R,3S)-rel-1-[(2,3-Dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]-2-butanol;(+/-)-1-[2,3-(DIHYDRO-7-METHYL-1H-INDEN-4-YL)OXY]-3-[(1-METHYLETHYL)AMINO]-2-BUTANOL HYDROCHLORIDE;ICI-118-551 HYDROCHLORIDE HIGHLY SELECTI VE B2 A;ICI118551HCl | | CAS: | 72795-19-8 | | MF: | C17H27NO2 | | MW: | 277.4 | | EINECS: | | | Product Categories: | | | Mol File: | 72795-19-8.mol |  |
| | ICI-118,551 Chemical Properties |
| Melting point | 217-219°C | | Boiling point | 439.3±45.0 °C(Predicted) | | density | 1.045±0.06 g/cm3(Predicted) | | storage temp. | Hygroscopic, -20°C Freezer, Under inert atmosphere | | solubility | ethanol: 7.3 mg/mL | | form | powder | | pka | 13.87±0.20(Predicted) | | color | white | | InChI | 1S/C17H27NO2/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/t13-,16-/m0/s1 | | InChIKey | VFIDUCMKNJIJTO-BBRMVZONSA-N | | SMILES | N([C@H]([C@@H](O)COc1c2c(c(cc1)C)CCC2)C)C(C)C |
| WGK Germany | 3 | | Storage Class | 11 - Combustible Solids |
| | ICI-118,551 Usage And Synthesis |
| Uses | The (R,R)-enantiomer of ICI 118551 as highly selective β2-adrenoceptor antagonist. The S,S-enantiomer is the most potent. | | Definition | ChEBI: ICI 118551 is an indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer). It has a role as a beta-adrenergic antagonist. It is a member of indanes, an aromatic ether, a secondary alcohol and a secondary amino compound. | | Biological Activity | Primary Target
-2 adrenergic receptors', 'Reversible: yes', 'Target Ki: 1.2, 120 and 257 nM for -2, -1 and -3 receptors respectively. |
| | ICI-118,551 Preparation Products And Raw materials |
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