Name: Disulfo-ICG carboxylic acid
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT218847904
Cas No:2757507-18-7
常用名:Disulfo-ICG carboxylic acid
别名:二磺酸-吲哚菁绿-羧酸
IUPAC:disodium 2-[(1E,3E,5E)-7-[(2Z)-3-(5-carboxypentyl)-1,1-dimethyl-7-sulfonato-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium-7-sulfonate
IUPAC:disodium 2-[(1E,3E,5E)-7-[(2Z)-3-(5-carboxypentyl)-1,1-dimethyl-7-sulfonato-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium-7-sulfonate
InChI key:XLTAEZQCEVNUHH-UHFFFAOYSA-L

分子式:C45H48N2Na2O11S3
分子量:935.04
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccc4cc(ccc4c3C2(C)C)S([O-])(=O)=O)N(CCCCCC(O)=O)c2ccc3cc(ccc3c12)S([O-])(=O)=O
SMILES:[Na+].[Na+].CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccc4cc(ccc4c3C2(C)C)S([O-])(=O)=O)N(CCCCCC(O)=O)c2ccc3cc(ccc3c12)S([O-])(=O)=O

Disulfo-ICG carboxylic acid, a derivative of ICG (Indocyanine Green), is a NIR fluorescent dye [1].

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