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FD-1080

CAT: 0013-GTR19335673-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19335673-02Size:500 mg
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Description
FD-1080 is a small molecule fluorophore excitable and emitting within the NIR-II window, enabling deep-tissue in vivo imaging. Its properties facilitate high-resolution vascular and tumor visualization in preclinical research, as supported by studies on NIR-II probes for biological sensing.
CAS Number
1151666-58-8
Molecular Weight
766.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

sodium;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-(4-sulfonatobutyl)benzo[cd]indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[cd]indol-1-yl]butane-1-sulfonate
CAS Number1151666-58-8
PubChem CID42597590
IUPAC Namesodium 4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-(4-sulfonatobutyl)benzo[cd]indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[cd]indol-1-yl]butane-1-sulfonate
Molecular FormulaC40H38ClN2NaO6S2
Molecular Weight765.3
Topological Polar Surface Area137
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count52
Formal Charge0
Complexity1530
SMILES
C1CC(=C(/C(=C/C=C/2\C3=CC=CC4=C3C(=CC=C4)N2CCCCS(=O)(=O)[O-])/C1)Cl)/C=C/C5=[N+](C6=CC=CC7=C6C5=CC=C7)CCCCS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C40H39ClN2O6S2.Na/c41-40-30(20-22-34-32-16-6-10-28-12-8-18-36(38(28)32)42(34)24-1-3-26-50(44,45)46)14-5-15-31(40)21-23-35-33-17-7-11-29-13-9-19-37(39(29)33)43(35)25-2-4-27-51(47,48)49;/h6-13,16-23H,1-5,14-15,24-27H2,(H-,44,45,46,47,48,49);/q;+1/p-1
InChIKey
UUIDRCSEPATAJK-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of sodium;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-(4-sulfonatobutyl)benzo[cd]indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[cd]indol-1-yl]butane-1-sulfonate
CAS: 1151666-58-8
CID: 42597590
Formula: C40H38ClN2NaO6S2
MW: 765.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight765.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass764.1757513
Monoisotopic Mass764.1757513
Topological Polar Surface Area137 Ų
Heavy Atom Count52
Formal Charge0
Complexity1530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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