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Lumin

CAT: 0931-T32948-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T32948-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80893-93-2
Target
Others
Related Pathways
Others
Bioactivity
Lumin is a cyanine dye that enhances interleukin 12-dependent interferon gamma production by lipopolysaccharide-stimulated mouse splenocytes.
Smiles
CC[N+](C1=C2C=CC=C1)=CC=C2C=CC(C3=CC=[N+](CC)C4=C3C=CC=C4)=CC=C(C=CN5CC)C6=C5C=CC=C6.[Cl-].[Cl-]
Molecular Formula
C38H37Cl2N3
Molecular Weight
606.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lumin

structure given in first source; RN refers to dichloride

CAS Number80893-93-2
PubChem CID23305342
IUPAC Name1-ethyl-4-[(1E,3E,5E)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium dichloride
Molecular FormulaC38H37Cl2N3
Molecular Weight606.6
Topological Polar Surface Area11
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity921
SMILES
CCN1C=C/C(=C\C=C(/C=C/C2=CC=[N+](C3=CC=CC=C23)CC)\C4=CC=[N+](C5=CC=CC=C45)CC)/C6=CC=CC=C61.[Cl-].[Cl-]
InChI
InChI=1S/C38H37N3.2ClH/c1-4-39-26-23-30(33-13-7-10-16-36(33)39)21-19-29(32-25-28-41(6-3)38-18-12-9-15-35(32)38)20-22-31-24-27-40(5-2)37-17-11-8-14-34(31)37;;/h7-28H,4-6H2,1-3H3;2*1H/q+2;;/p-2
InChIKey
KBRCYOYPZIZVJX-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Lumin
CAS: 80893-93-2
CID: 23305342
Formula: C38H37Cl2N3
MW: 606.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight606.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass605.2364536
Monoisotopic Mass605.2364536
Topological Polar Surface Area11 Ų
Heavy Atom Count43
Formal Charge0
Complexity921
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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