Account (S)-4-Amino-5-(4-(4-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy)methyl)phenyl)sulfonamido)tetrahydro-2H-pyran-4-carbonyl)piperazin-1-yl)-N,N,N-trimethyl-5-oxopentan-1-aminium chloride
- Catalog No. :
- ACWWKF695
- CAS No. :
- 1157852-02-2
- Molecular Formula :
- C36H49Cl3N6O6S
- Molecular Weight :
- 800.25
IUPAC Name:(S)-4-amino-5-(4-(4-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy)methyl)phenyl)sulfonamido)tetrahydro-2H-pyran-4-carbonyl)piperazin-1-yl)-N,N,N-trimethyl-5-oxopentan-1-aminium chloride
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Product Information
| Product Name | (S)-4-Amino-5-(4-(4-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy)methyl)phenyl)sulfonamido)tetrahydro-2H-pyran-4-carbonyl)piperazin-1-yl)-N,N,N-trimethyl-5-oxopentan-1-aminium chloride |
|---|---|
| IUPAC Name | (S)-4-amino-5-(4-(4-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy)methyl)phenyl)sulfonamido)tetrahydro-2H-pyran-4-carbonyl)piperazin-1-yl)-N,N,N-trimethyl-5-oxopentan-1-aminium chloride |
| Molecular Formula | C36H49Cl3N6O6S |
| Molecular Weight | 800.25 |
| SMILES | O=C(N1CCN(C(C2(NS(=O)(C3=CC=C(Cl)C(COC4=C5N=C(C)C=C(C)C5=CC=C4)=C3Cl)=O)CCOCC2)=O)CC1)[C@@H](N)CCC[N+](C)(C)C.[Cl-] |
| InChI Key | ZNHJDJYKDVGQSH-JMAPEOGHSA-M |
| Synonym | Fasitibant chloride | AKOS040756510 | (4S)-4-Amino-5-(4-(4-(2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy)methyl)benzenesulfonamido)oxane-4-carbonyl)piperazin-1-yl)-N,N,N-trimethyl-5-oxopentan-1-aminium chloride | Fasitibant (chloride) | Q27268395 | UNI |
| CAS No. | 1157852-02-2 |
| PubChem CID | 11535140 |
Synthetic Route by SureRoute
2. ACWWKF695 Molecular Building Block Synthetic Route
(S)-4-Amino-5-(4-(4-(2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy)methyl)phenylsulfonamido)tetrahydro-2H-pyran-4-carbonyl)piperazin-1-yl)-N,N,N-trimethyl-5-oxopentan-1-aminium chloride hydrochloride
Fasitibant free base
(S)-N-(3-(4-Carbamimidoylbenzamido)propyl)-1-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy)methyl)phenyl)sulfonyl)pyrrolidine-2-carboxamide dihydrochloride