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Chemical structure of FD-1080 free acid

GC20219

FD-1080 free acid

Also known as 4-[(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-(4-sulfobutyl)benzo[cd]indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[cd]indol-1-yl]butane-1-sulfonate

FD-1080 free acid is a fluorophore with both excitation and emission in the NIR-II region (Ex=1064 nm, Em=1080 nm)· FD-1080 free acid can be used for in vivo imaging

ChemicalCAS1151888-25-3MW743.33FormulaC40H39ClN2O6S2
CAS number
1151888-25-3
Molecular weight
743.33
Formula
C40H39ClN2O6S2
Solubility
DMSO ： < 1 mg/mL (insoluble or slightly soluble)
InChIKey
NDZQFRYUXBSGNX-UHFFFAOYSA-N
Catalogue number
GC20219
Brand
GLPBIO
Computed properties PubChem CID 168008650 · XLogP 6.9 · TPSA 135 Ų · H-bond donors 1
XLogP
6.9
TPSA
135 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
51

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

Computed descriptors from PubChem (CID 168008650), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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