Products 172616-80-7

CAS 172616-80-7 appears in our catalog under these names: New Indocyanine Green, IR-820/ 98.76% (existing batch purity), IR-820 97%, IR-820, 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), 97%, 97%. Offered by: GLPBio, TargetMol, Ambeed, Sigma-Aldrich, Chemat. Available pack sizes: 1g, 250mg, 5g, 50mg, 100mg, 10g, 250 mg, 100 mg.

New Indocyanine Green
GLPBio
  • size: 1g, 250mg, 5g
  • Variants: 3
from 667.25
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IR-820/ 98.76% (existing batch purity)
TargetMol
  • size: 50mg, 100mg
  • Variants: 2
from 386.15
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IR-820 97%
Ambeed
  • size: 100mg, 250mg, 1g, 5g
  • Variants: 4
from 259.12
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IR-820
Sigma-Aldrich
  • size: 1G
  • Variants: 1
from 1210.00
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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), 97%, 97%
Chemat
  • size: 100mg, 250mg, 1g, 5g
  • Variants: 4
from 117.20
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S 0306 - FEW Chemicals, 820 nm in MeOH, 1 g, glass
Roth
  • size: 1g
  • Variants: 1
from 1269.58
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S 0306 - FEW Chemicals, 820 nm in MeOH, 5 g, plastic
Roth
  • size: 5g
  • Variants: 1
from 2119.10
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S 0306 - FEW Chemicals, 820 nm in MeOH, 10 g, plastic
Roth
  • size: 10g
  • Variants: 1
from 2685.46
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IR-820, 98.0%
MedChemExpress
  • size: 250 mg, 100 mg, 10mM/1mL
  • Variants: 3
from 361.49
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IR-820, 96%
Fluorochem
  • size: 100mg, 250mg, 1g, 5g
  • Variants: 4
from 258.26
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Structural formula: {0} (CAS {1})

Sodium 4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate (CAS 172616-80-7) is a chemical compound with the molecular formula C46H50ClN2NaO6S2 and a molecular weight of 849.5 g/mol. IUPAC name: sodium 4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate. InChIKey: RANIQVAJHXBIAY-UHFFFAOYSA-M.

Identity
Molecular formulaC46H50ClN2NaO6S2
Molecular weight849.5 g/mol
IUPAC namesodium 4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
InChIKeyRANIQVAJHXBIAY-UHFFFAOYSA-M
SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C4=C(/C(=C/C=C/5\C(C6=C(N5CCCCS(=O)(=O)[O-])C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.[Na+]

Computed by PubChem (NCBI)