Cyanine7.5 tetrazine

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Cyanine7.5 tetrazine

Cyanine7.5 tetrazine

Catalog Number R08-0010
Category Cyanine7.5
Molecular Formula C55H58N7BF4O
Molecular Weight 919.9
Catalog Number Size Price Quantity
R08-0010 -- $--

Product Introduction

Cyanine7.5 tetrazine for tetrazine ligation contains a near infrared fluorophore suitable for in vivo imaging.Absorption and emission spectra of Cyanine7.5 are similar to ICG (indocyanine green), but Cyanine7.5 is significantly brighter.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 6-[1,1-dimethyl-2-[2-[3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide;trifluoroborane;fluoride
Canonical SMILES B(F)(F)F.CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN3C4=C(C5=CC=CC=C5C=C4)C(C3=CC=C6CCCC(=C6)C=CC7=[N+](C8=C(C7(C)C)C9=CC=CC=C9C=C8)C)(C)C.[F-]
InChI InChI=1S/C55H57N7O.BF3.FH/c1-37-57-59-53(60-58-37)43-26-22-40(23-27-43)36-56-50(63)21-8-7-13-34-62-47-31-29-42-18-10-12-20-45(42)52(47)55(4,5)49(62)33-25-39-16-14-15-38(35-39)24-32-48-54(2,3)51-44-19-11-9-17-41(44)28-30-46(51)61(48)6;2-1(3)4;/h9-12,17-20,22-33,35H,7-8,13-16,21,34,36H2,1-6H3;;1H
InChI Key TYBJGGWWXYOTON-UHFFFAOYSA-N
Solubility good in DMF, DMSO, dichloromethane
Appearance dark colored solid
  • Product Specification
ε, L⋅mol-1⋅cm-1 223000
Excitation 788
Emission 808
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. Desiccate.

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 12
Exact Mass 919.4732023 g/mol
Monoisotopic Mass 919.4732023 g/mol
Topological Polar Surface Area 86.9Ų
Heavy Atom Count 68
Formal Charge 0
Complexity 1760
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 3
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes
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