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C5-Indocyanine

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C5-Indocyanine

C5-Indocyanine

Catalog Number F02-0037
Category Other Cyanine
Molecular Formula C29H35N2.I
Molecular Weight 538.52
Catalog Number Size Price Quantity
F02-0037 -- $--

Product Introduction

C5-Indocyanine is a fluorescent molecule widely used in biomedicine. It is commonly employed as a contrast agent for near-infrared imaging, aiding in the detection and visualization of tumors, vascular structures, and lymph nodes. With its exceptional sensitivity and minimal toxicity, C5-Indocyanine has proven effective in diagnosing and monitoring various diseases, including cancer and cardiovascular disorders.

Chemical Information

Synonyms Indodicarbocyanine (C5)dye; C5_DI (C5-di-indolenine); (2Z)-1-ethyl-2-[(2E,4Z)-5-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole;iodide; 1-ethyl-2-[5-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indolium iodide
IUPAC Name (2Z)-1-ethyl-2-[(2E,4Z)-5-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole;iodide
Canonical SMILES CCN1C2=CC=CC=C2C(C1=CC=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CC)(C)C.[I-]
InChI InChI=1S/C29H35N2.HI/c1-7-30-24-18-14-12-16-22(24)28(3,4)26(30)20-10-9-11-21-27-29(5,6)23-17-13-15-19-25(23)31(27)8-2;/h9-21H,7-8H2,1-6H3;1H/q+1;/p-1
InChI Key IWHSKYHCPUDDMY-UHFFFAOYSA-M
  • Product Specification
Excitation 638
Emission 657
Storage 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light.

Computed Properties

Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 538.18450 g/mol
Monoisotopic Mass 538.18450 g/mol
Topological Polar Surface Area 6.2Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 717
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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