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HIT212716066
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HIT212716066
  • HIT ID:HIT212716066
  • Cas No:869880-33-1
  • 常用名:Fasitibant chloride hydrochloride
    常用名:Fasitibant chloride hydrochloride
  • 别名:MEN-16132, MEN16132, MEN 16132, Fasitibant chloride (HCl salt), Fasitibant chloride
    别名:MEN-16132, MEN16132, MEN 16132, Fasitibant chloride (HCl salt), Fasitibant chloride
  • IUPAC:[(4S)-4-amino-5-{4-[4-(2,4-dichloro-3-{[(2,4-dimethylquinolin-8-yl)oxy]methyl}benzenesulfonamido)oxane-4-carbonyl]piperazin-1-yl}-5-oxopentyl]trimethylazanium hydrochloride chloride
    IUPAC:[(4S)-4-amino-5-{4-[4-(2,4-dichloro-3-{[(2,4-dimethylquinolin-8-yl)oxy]methyl}benzenesulfonamido)oxane-4-carbonyl]piperazin-1-yl}-5-oxopentyl]trimethylazanium hydrochloride chloride
  • InChI key:QIAWOUUTKDMGTE-UJXPALLWSA-M
  • 分子式:C36H50Cl4N6O6S
  • 分子量:836.69
  • 氢键供体数 (HBD):2
  • 氢键受体数 (HBA):8
  • LogP:-0.5017592
  • SMILES:Cl.[Cl-].Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1
    SMILES:Cl.[Cl-].Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1
  • Fasitibant chloride( MEN16132) is an effective and selective non-peptide antagonist of kinin B2 receptor.
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