886579-13-1
886579-13-1 structure
- Name: N-[(3-endo)-8-{(2S)-2-Hydroxy-3-[4-(methylsulfonyl)-1-piperazinyl ]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1-isopropyl-2-oxo-1,2-dihyd ro-3-quinolinecarboxamide
- Chemical Name: N-[(3-endo)-8-{(2S)-2-Hydroxy-3-[4-(methylsulfonyl)-1-piperazinyl ]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1-isopropyl-2-oxo-1,2-dihyd ro-3-quinolinecarboxamide
- CAS Number: 886579-13-1
- Molecular Formula: C28H41N5O5S
- Molecular Weight: 559.72100
- Create Date: 2017-02-26 15:01:29
- Modify Date: 2023-01-24 15:33:32
| Name | N-[(3-endo)-8-{(2S)-2-Hydroxy-3-[4-(methylsulfonyl)-1-piperazinyl ]propyl}-8-azabicyclo[3.2.1]oct-3-yl]-1-isopropyl-2-oxo-1,2-dihyd ro-3-quinolinecarboxamide |
|---|
| Molecular Formula | C28H41N5O5S |
|---|---|
| Molecular Weight | 559.72100 |
| Exact Mass | 559.28300 |
| PSA | 127.06000 |
| LogP | 2.71500 |
|
~%
886579-13-1 |
| Literature: THERAVANCE, INC. Patent: US2006/100426 A1, 2006 ; Location in patent: Page/Page column 21 ; US 20060100426 A1 |
|
~75%
886579-13-1 |
| Literature: McKinnell, R. Murray; Armstrong, Scott R.; Beattie, David T.; Choi, Seok-Ki; Fatheree, Paul R.; Gendron, Roland A. L.; Goldblum, Adam; Humphrey, Patrick P.; Long, Daniel D.; Marquess, Daniel G.; Shaw; Smith, Jacqueline A. M.; Turner, S. Derek; Vickery, Ross G. Journal of Medicinal Chemistry, 2009 , vol. 52, # 17 p. 5330 - 5343 |
| Precursor 1 | |
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| DownStream 0 | |