CAS 115970-66-6

3,3-DIMETHYL-2-[2-[-CHLORO-3-[2-[1,3-DIHYDRO-3,3-DIMETHYL-1-(4-SULFOBUTYL)-2H-INDOL 2-YLIDENE]-ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1-(4-SULFOBUTYL)-3H-INDOLIUM HYDROXIDE, INNER SALT, MONOSODIUM SALT

Description:

3,3-Dimethyl-2-[2-[-chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]ethenyl]-1-(4-sulfobutyl)-3H-indolium hydroxide, inner salt, monosodium salt, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as sulfonic acid derivatives and indole moieties. This compound is notable for its potential applications in dye chemistry and photodynamic therapy due to its chromophoric properties. The presence of chlorine and sulfonic acid groups enhances its solubility in water, making it suitable for various biological and chemical applications. Additionally, the indolium structure contributes to its stability and reactivity, allowing for potential interactions with biological targets. The inner salt formation indicates that the compound can exist in a zwitterionic state, which may influence its behavior in solution. Overall, this compound exemplifies the complexity and versatility of synthetic organic chemistry, particularly in the development of functional materials.

Formula: C₃₈H₄₆ClN₂NaO₆S₂

InChI: InChI=1/C38H47ClN2O6S2.Na/c1-37(2)30-16-5-7-18-32(30)40(24-9-11-26-48(42,43)44)34(37)22-20-28-14-13-15-29(36(28)39)21-23-35-38(3,4)31-17-6-8-19-33(31)41(35)25-10-12-27-49(45,46)47;/h5-8,16-23H,9-15,24-27H2,1-4H3,(H-,42,43,44,45,46,47);/q;+1/p-1

SMILES: CC1(C)c2ccccc2[N+](=C1C=CC1=C(C(=CC=C2C(C)(C)c3ccccc3N2CCCCS(=O)(=O)[O-])CCC1)Cl)CCCCS(=O)(=O)O.[Na]

Synonyms:

• 3,3-Dimethyl-2-(2-chloro-3-(2-(1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-(2H)-indol-2-ylidene)ethylidene)-1-cyclohexen-
• 2-[2-[2-Chloro-3-[2-[1,3-Dihydro-3,3-Dimethyl-1-(4-Sulfobutyl)-2H-Indol-2-Ylidene]-Ethylidene]-1-Cyclohexen-1-Yl]-Ethenyl]-3,3-Dimethyl-1-(4-Sulfobutyl)-3H-Indolium Hydroxide, Inner Salt Sodium Salt
• sodium 4-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indolin-2-ylidene]ethylidene]cyclohexen-1-yl]vinyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonate

3H-Indolium, 2-[2-[2-chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt, sodium salt (1:1)

CAS: 115970-66-6

Formula: C₃₈H₄₆ClN₂NaO₆S₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 749.3544

Ref: IN-DA000H8H

IR-783

CAS: 115970-66-6

IR-783

Purity: 98%

Molecular weight: 749.35g/mol

Ref: 54-OR1013568

IR-783

CAS: 115970-66-6

IR-783

Purity: ≥98%

Molecular weight: 749.35g/mol

Ref: 54-BUP11673

IR 783

CAS: 115970-66-6

Formula: C₃₈H₄₆ClN₂NaO₆S₂

Purity: >98.0%(HPLC)

Color and Shape: Brown to Black powder to crystal

Molecular weight: 749.35

Ref: 3B-I1031

IR-783

CAS: 115970-66-6

IR 783 is a heptamethine cyanine fluorescent probe for in vivo imaging of tumor cells. It displays excitation/emission maxima of 633/780 nm, respectively.

Formula: C₃₈H₄₆ClN₂NaO₆S₂

Purity: 99.58% - 99.97%

Color and Shape: Solid

Molecular weight: 749.35

Ref: TM-TD0106

IR-783

CAS: 115970-66-6

Ref: 7W-GW5488

IR-783

CAS: 115970-66-6

Formula: C₃₈H₄₇ClN₂O₆S₂·Na

Molecular weight: 727.37 22.99

Ref: 4Z-F-249006

IR-783

CAS: 115970-66-6

Fluorescent cyanine dye; reactive oxygen species sensor

Formula: C₃₈H₄₆ClN₂NaO₆S₂

Purity: Min. 90 Area-%

Color and Shape: Green Powder

Molecular weight: 749.36 g/mol

Ref: 3D-FI32333

IR-783

CAS: 115970-66-6

Purity: 98%

Molecular weight: 748.238

Ref: 10-F867397