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Cas Database |
| Name |
Aclidinium bromide |
EINECS | 825-171-6 |
| CAS No. | 320345-99-1 | Density | N/A |
| PSA | 112.24000 | LogP | 1.62960 |
| Solubility | N/A | Melting Point |
230 °C(Solv: acetonitrile (75-05-8)) |
| Formula | C26H30NO4S2.Br | Boiling Point | N/A |
| Molecular Weight | 564.564 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(3R)-(2-Hydroxy-2,2-dithien-2-ylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octanebromide;LAS 34273;LAS-W 330;1-Azoniabicyclo[2.2.2]octane,3-[(hydroxydi-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-, bromide, (3R)- (9CI);1-Azoniabicyclo[2.2.2]octane,3-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-, bromide (1:1),(3R)-; |
Article Data | 14 |
Aclidinium bromide Specification
1. Introduction of Aclidinium bromide
Aclidinium bromide is white or almost white. Aclidinium bromide Systematic name is [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide. Its Classification Code is Cholinergic Agents; Cholinergic; Antagonists; Muscarinic Antagonists; Neurotransmitter Agents; Treatment of symptoms related to chronic obstructive pulmonary disease.
2. Properties of Aclidinium bromide
Physical properties about Aclidinium bromide are:
(1)H-Bond Donor: 1; (2)H-Bond Accepto:r 5; (3)Rotatable Bond Count: 10; (4)Exact Mas:s 563.079962; (5)MonoIsotopic Mas:s 563.079962; (6)Topological Polar Surface Area: 112; (7)Heavy Atom Count: 34; (8)Formal Charge: 0; (9)Complexity: 647; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 1; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.
3. Structure Descriptors of Aclidinium bromide
(1)SMILES: C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]
(2)Isomeric SMILES: C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]
(3)InChI: InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1
(4)InChIKey: XLAKJQPTOJHYDR-QTQXQZBYSA-M.
4. Uses of Aclidinium bromide
Aclidinium bromide is one kind of API. Hence, it can be used in the medicine. Aclidinium bromide is a maintenance treatment for chronic obstructive pulmonary disease (COPD).
5. Market Analysis for Aclidinium bromide
Aclidinium is rapidly hydrolysed in human plasma, unlike other currently available antimuscarinics including tiotropium. This results in very low and transient systemic exposure, suggesting a reduced potential for class-related systemic side effects in the clinical setting. In a subsequent Phase IIb study, which included 464 patients with moderate to severe COPD, aclidinium displayed long-lasting bronchodilatory activity and was well tolerated. Therefore, the Aclidinium bromide Market is promising.
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