Account DS-8587
- Catalog No. :
- ACIIEF087
- CAS No. :
- 1356918-39-2
- Molecular Formula :
- C21H27ClF3N3O5
- Molecular Weight :
- 493.91
IUPAC Name:7-((3aR,6aS)-3a-amino-6a-fluorohexahydrocyclopenta[c]pyrrol-2(1H)-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride dihydrate
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Product Information
| Product Name | DS-8587 |
|---|---|
| IUPAC Name | 7-((3aR,6aS)-3a-amino-6a-fluorohexahydrocyclopenta[c]pyrrol-2(1H)-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride dihydrate |
| Molecular Formula | C21H27ClF3N3O5 |
| Molecular Weight | 493.91 |
| SMILES | O=C(C1=CN([C@H]2[C@@H](F)C2)C3=C(C=C(F)C(N4C[C@]5(F)[C@](CCC5)(N)C4)=C3C)C1=O)O.[H]Cl.[H]O[H].[H]O[H] |
| InChI Key | WDCLSNJDBKODOF-JNEZQIAFSA-N |
| Synonym | DS 8587;DS8587;DS-8587;DS-8587 free;3-Quinolinecarboxylic acid, 7-[(3aR,6aS)-3a-amino-6a-fluorohexahydrocyclopenta[c]pyrrol-2(1H)-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxo-, hydrochloride, hydrate (1:1:2) |
| CAS No. | 1356918-39-2 |
Synthetic Route by SureRoute
2. ACIIEF087 Molecular Building Block Synthetic Route
8-Cyano-1-cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
8-cyano-1-cyclopropyl-6-fluoro-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
7-(Cis-3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid