Account (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
- Catalog No. :
- ACFOKN107
- CAS No. :
- 869880-33-1
- Molecular Formula :
- C36H50Cl4N6O6S
- Molecular Weight :
- 836.71
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 hydrochloride
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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)phenylsulfonamido)tetrahydro-2H-pyran-4-carbonyl)piperazin-1-yl)-N,N,N-trimethyl-5-oxopentan-1-aminium chloride hydrochloride |
|---|---|
| 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 hydrochloride |
| Molecular Formula | C36H50Cl4N6O6S |
| Molecular Weight | 836.71 |
| 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.[H]Cl.[Cl-] |
| InChI Key | QIAWOUUTKDMGTE-UJXPALLWSA-M |
| Synonym | Fasitibant chloride hydrochloride;[(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium:chloride:hydrochloride;Fasitibant chloride (HCl salt);MEN 16132;MEN16132;MEN-16132 |
| CAS No. | 869880-33-1 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACFOKN107 Molecular Building Block Synthetic Route
(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
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