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indocyanine green

Structure via PubChem · Public domain (PubChem)

EntityQ905662· pop 8· linked from 27 articles

indocyanine green

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Also known as cardio-green, Fox Green, indocyanine

chemical compound

Chemical data

Formula
C43H47N2NaO6S2
Molecular weight
775 g/mol
IUPAC name
sodium 4-[(2Z)-2-[(2E,4E,6E)-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
SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C=C/C=C/C=C\4/C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]
InChIKey
MOFVSTNWEDAEEK-UHFFFAOYSA-M
Polar surface area
137 Ų
H-bond donors
0
H-bond acceptors
7
Formal charge
0

via PubChem

Drug data · ChEMBL

Max clinical phase
Approved
Molecule type
Small molecule
First approval
1959
Admin. routes
parenteral
Indications
breast carcinoma, periodontitis, non-small cell lung carcinoma, renal cell carcinoma

via ChEMBL · EBI

Research

20,304 papers

via PubMed

Wikidata facts

Mass
774.277324
Has use
dye
Show 4 more facts
chemical formula
C₄₃H₄₇N₂NaO₆S₂
isomeric SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C=C/C=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]
canonical SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]
Commons category
Indocyanine green
Sources (2)

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