Indocyanine Green (~90%)
Basic information
- CAS
3599-32-4- Standard SMILES
CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)N(CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21.[Na+]- InChIKey
MOFVSTNWEDAEEK-UHFFFAOYSA-M- Molecular formula
- C43H47N2NaO6S2
- Average molar mass
- 775 g/mol
- Monoisotopic mass
- 774.27732385
Overview
See also: Indocyanine Green (preferred); indocyanine green acid form (has active moiety).
Names & identifiers
- Preferred name
- Indocyanine Green (~90%)
- IUPAC
- sodium 4-[2-[7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
- English name
- Indocyanine green
- Molecular formula
- C43H49N2NaO6S2
- Molecular weight
- 776.98
Names & synonyms
Indocyanine Green (~90%)Cardio-green, Foxgreen, ICGIndocyanine Green (ICG)C43H47N2NaO6S2Foxgreen;IC Green;Indocyanine greenMFCD00013078SCHEMBL23631Sodium 2-(7-(3,3-dimethyl-1-(4-sulfonatobutyl)benz(e)indolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-1-(4-sulfonatobutyl)benz[e]indoliniumGTPL4844orb1308492MOLI0010011H-Benz[e]indolium,2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt, sodiumsalt
Show more names
ICGIndocyanineIR-1254,5-BENZOINDOTRICARBOCYANINEnk1611SO 270NK 2611NK 2612FOXGREENIC GREEN
Sodium 4-(2-(7-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonateDB-048906S1924C74855F868901F9995-0163sodium 4-(2-(7-(1,1-dimethyl-3-(4-sulfonatobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonateSodium 4-(2-{7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,520
Physicochemical properties
- Melting point
- 235 °C · 235 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 2 O: · H2O: soluble1mg/mL
- form
- Powder
- color
- Green-bronze
- Appearance
- Dark green solid
- Water Solubility
- slightly soluble
- ex/em
- 786 · 786/820nm (Methanol)
- Φ(quantum yield)
- 0.09 · 0.09
- ε(extinction coefficient)
- 115 at · ≥115 at 386-396nm in water≥2000 at 774-784nm in water≥900 at 712-722nm in water
- Merck
- 14 · 14,4962
- BRN
- 4115884 · 4115884
- Major Application
- diagnostic assay manufacturinghematologyhistology
- Cosmetics Ingredients Functions
- UV ABSORBER
- InChIKey
- JDDBTPDPBRYGPQ-UHFFFAOYSA-N
- SMILES
- CC1(C(=[N+](CCCCS([O-])(=O)=O)C2C=CC3=CC=CC=C3C1=2)C=CC=CC=CC=C1C(C2C3=CC=CC=C3C=CC=2N1CCCCS(O)(=O)=O)(C)C)C.[NaH]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DE3150000
- hs_code
- 32129000
- Toxicity
- LD50 intravenous in mouse: 60mg/kg
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 3599-32-4(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionIndocyanine Green (aka ICG, IC Green, Foxgreen) is used for reliable imaging and flow cytometry. This dye is water-soluble and pH-insensitive. The fluorescence of Indocyanine Green is not visible to the human eye but is readily detected by most imaging systems.Indocyanine Green binds tightly to plasma proteins and becomes confined to the vascular system. The dye has a half-life of 150 to 180 sec and is removed from circulation exclusively by the liver to bile juice.Indocyanine Green is used for detection of hepatocyte-like cells, determining cardiac output, hepatic function, liver and gastric blood flow, and for ophthalmic angiography.
UsesIn infrared photography; in preparation of Wratten filters.
UsesA tricarbocyanine type of dye with infrared absorbing properties. Diagnostic aid (blood volume determination, cardiac output, hepatic function). Dyes and metabolites.
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