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Fluo-3 (ammonium salt)

CAT: 0931-T37315Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T37315Size:1 mg
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CAS Number
339221-91-9
Target
Others
Related Pathways
Others
Bioactivity
Fluo-3 (ammonium salt) is a fluorescent calcium indicator commonly used in flow cytometry and cell-based experiments to detect changes in intracellular calcium levels. [1] Its absorption maximum at 506 nm makes it compatible with excitation at 488 nm by argon-ion laser sources. Fluo-3 provides intense fluorescence upon binding calcium, detected at a maximum emission at 526 nm which can be monitored by FL1 (green, 525 nm band pass) sensors in flow cytometry.
Smiles
N.Cc1ccc(N(CC(O)=O)CC(O)=O)c(OCCOc2cc(ccc2N(CC(O)=O)CC(O)=O)-c2c3cc(Cl)c(O)cc3oc3cc(=O)c(Cl)cc23)c1
Molecular Formula
C36H33Cl2N3O13
Molecular Weight
786.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fluo-3 (ammonium salt)
CAS Number339221-91-9
PubChem CID44134721
IUPAC Namepentaazanium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]-5-(2,7-dichloro-3-oxido-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate
Molecular FormulaC36H45Cl2N7O13
Molecular Weight854.7
Topological Polar Surface Area240
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count58
Formal Charge0
Complexity1420
SMILES
CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)[O-])Cl)N(CC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChI
InChI=1S/C36H30Cl2N2O13.5H3N/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36;;;;;/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50);5*1H3
InChIKey
ABPVTPOQYAKASW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluo-3 (ammonium salt)
CAS: 339221-91-9
CID: 44134721
Formula: C36H45Cl2N7O13
MW: 854.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight854.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass853.2452399
Monoisotopic Mass853.2452399
Topological Polar Surface Area240 Ų
Heavy Atom Count58
Formal Charge0
Complexity1420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes

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