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HIT214319446
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HIT214319446
  • HIT ID:HIT214319446
  • Cas No:1151666-58-8
  • 常用名:FD-1080
  • 别名:Heptamethine cyanine dye FD-1080, Heptamethine cyanine dye FD1080, Heptamethine cyanine dye FD 1080, FD1080
    别名:Heptamethine cyanine dye FD-1080, Heptamethine cyanine dye FD1080, Heptamethine cyanine dye FD 1080, FD1080
  • IUPAC:3-[2-(2-chloro-3-{2-[2-(4-sulfobutyl)-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-3-ylidene]ethylidene}cyclohex-1-en-1-yl)ethenyl]-2-(4-sulfonatobutyl)-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),2,4,6,8,10-hexaen-2-ium sodium
    IUPAC:3-[2-(2-chloro-3-{2-[2-(4-sulfobutyl)-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-3-ylidene]ethylidene}cyclohex-1-en-1-yl)ethenyl]-2-(4-sulfonatobutyl)-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),2,4,6,8,10-hexaen-2-ium sodium
  • InChI key:OJZGYVCHDHFGQP-UHFFFAOYSA-N
  • 分子式:C40H39ClN2NaO6S2
  • 分子量:766.32
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Na].OS(=O)(=O)CCCCn1c2cccc3cccc(c23)c1=CC=C1CCCC(C=CC2=[N+](CCCCS([O-])(=O)=O)c3cccc4cccc2c34)=C1Cl |w:29.31,22.23,20.20,c:32,54|jcExt:v:0:0
    SMILES:[Na].OS(=O)(=O)CCCCn1c2cccc3cccc(c23)c1=CC=C1CCCC(C=CC2=[N+](CCCCS([O-])(=O)=O)c3cccc4cccc2c34)=C1Cl |w:29.31,22.23,20.20,c:32,54|jcExt:v:0:0
  • FD-1080 is a fluorophore with both excitation and emission in the NIR-II region for in vivo imaging.
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