2-[6-(Acetylphenylamino)-1,3,5-hexatrienyl]-1,1-dimethyl-3-sulfobutyl-1H-benz[e]indolium Inner Salt

CAS: 63450-66-8

Ref. TR-A187940

Product Information

• Name: 2-[6-(Acetylphenylamino)-1,3,5-hexatrienyl]-1,1-dimethyl-3-sulfobutyl-1H-benz[e]indolium Inner Salt
• Synonyms: 4-[2-[(1E,3E,5E)-6-(N-acetylanilino)hexa-1,3,5-trienyl]-1,1-dimethyl-benzo[e]indol-3-ium-3-yl]butane-1-sulfonate
• Brand: TRC
• Description: Applications 2-[6-(Acetylphenylamino)-1,3,5-hexatrienyl]-1,1-dimethyl-3-sulfobutyl-1H=-benz[e]indolium Inner Salt is a reactant used in the preparation of indocyanine green as an infrared probe.References Suganami, A. et al.: Bioorg. Med. Chem. Lett., 22, 7481 (2012); Doi, T. et al.: Synlett., 23, 306 (2012)

Chemical properties

• Molecular weight: 542.69
• Formula: C₃₂H₃₄N₂O₄S
• Color/Form: Neat
• InChI: InChI=1S/C32H34N2O4S/c1-25(35)33(27-16-7-6-8-17-27)22-12-5-4-9-19-30-32(2,3)31-28-18-11-10-15-26(28)20-21-29(31)34(30)23-13-14-24-39(36,37)38/h4-12,15-22H,13-14,23-24H2,1-3H3
• SMILES: CC(=O)N(/C=C/C=C/C=C/C1=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c2C1(C)C)c1ccccc1