Synonym: 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
CAS Number: 172616-80-7
Empirical Formula (Hill Notation): C46H50ClN2NaO6S2
Molecular Weight: 849.47
MDL Number: MFCD04038859
Linear Formula: C46H50ClN2NaO6S2
Product Type: Chemical
| λmax |
820 nm |
| composition |
Dye content, 80% |
| InChI |
1S/C46H51ClN2O6S2.Na/c1-45(2)40(48(28-9-11-30-56(50,51)52)38-24-20-32-14-5-7-18-36(32)42(38)45)26-22-34-16-13-17-35(44(34)47)23-27-41-46(3,4)43-37-19-8-6-15-33(37)21-25-39(43)49(41)29-10-12-31-57(53,54)55;/h5-8,14-15,18-27H,9-13,16-17,28-31H2,1-4H3,(H-,50,51,52,53,54,55);/q;+1/p-1 |
| InChI key |
RANIQVAJHXBIAY-UHFFFAOYSA-M |
| mp |
>300 °C (lit.) |
| SMILES string |
[Na+].CC1(C)C(=CC=C2/CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccc5ccccc5c4C3(C)C)=C2Cl)N(CCCCS([O-])(=O)=O)c6ccc7ccccc7c16 |
| Application: |
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. |
| Packaging: |
1 g in glass bottle |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| mp |
>300 °C (lit.) |
| UNSPSC |
12352103 |
