ChemicalBook--->CAS DataBase List--->172616-80-7

172616-80-7

172616-80-7 Structure

172616-80-7 Structure
IdentificationBack Directory
[Name]

New Indocyanine Green
[CAS]

172616-80-7
[Synonyms]

S-0306
IR-820
NEW INDOCYANINE GREEN
IR-820 Dye content 80 %
New Indocyanine Green, dye content 80 %
Sodium 4-(2-(2-(2-chloro-3-(2-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)ethy
2-(2-(2-Chloro-3-((1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benzo[e]indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl]
Sodium 4-(2-(2-(2-chloro-3-(2-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
IR-820,2-[2-[2-Chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benzo[e]indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium hydroxide inne
2-[2-[2-Chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benzo[e]indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo(e)indolium hydroxide, inner salt
1H-Benz[e]indolium,2-[2-[2-chloro-3-[2-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-,inner salt, sodium salt (1:1)
2-[2-[2-chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2h-benzo[e]indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1h-benzo[e]indolium hydroxide inner salt, sodium salt
2-[2-[2-CHLORO-3-[[1,3-DIHYDRO-1,1-DIMETHYL-3-(4-SULFOBUTYL)-2H-BENZO[E]INDOL-2-YLIDENE]-ETHYLIDENE]-1-CYCLOHEXEN-1-YL]-ETHENYL]-1,1-DIMETHYL-3-(4-SULFOBUTYL)-1H-BENZO(E)INDOLIUM HYDROXIDE, INNER SALT, SODIUM SALT
New Indocyanine Green, 2-[2-[2-Chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benzo[e]indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium hydroxide inner salt, sodium salt
[EINECS(EC#)]

1533716-785-6
[Molecular Formula]

C46H52ClN2NaO6S2
[MDL Number]

MFCD04038859
[MOL File]

172616-80-7.mol
[Molecular Weight]

851.49
Chemical PropertiesBack Directory
[Melting point ]

>300 °C
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

Solid
[color ]

Brown to dark brown
[λmax]

820 nm
[InChIKey]

RANIQVAJHXBIAY-UHFFFAOYSA-M
[SMILES]

CC1(C(=[N+](CCCCS([O-])(=O)=O)C2=CC=C3C=CC=CC3=C12)C=CC1CCCC(=CC=C2C(C3=C4C=CC=CC4=CC=C3N2CCCCS(O)(=O)=O)(C)C)C=1Cl)C.[NaH]
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

32129000
Hazard InformationBack Directory
[Description]

IR-820 is a near-infrared dye used as an infrared blood pool contrast agent.

[Uses]

IR-820 is a cost-effective imaging agent with low cytotoxicity. It can be used for image guided photothermal therapy for the treatment of cancer. It is also used as a contrasting agent for the detection and quantification of infected tissues in animals.
[General Description]

IR-820 is an indocyanine dye, which has a broad absorption band at 690 nm in aqueous solution. It is a near infrared dye (NIR) with a molar absorptivity of 72 x 104 dm3mol?1cm?1.
Spectrum DetailBack Directory
[Spectrum Detail]

New Indocyanine Green(172616-80-7)1HNMR
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