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Brilliant Sulfaflavine

CAT: 0572-TRC-B677405-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B677405-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2391-30-2
Hazard Statement
No Data Available
Smiles
[Na+].Cc1ccc(cc1)N2C(=O)c3cccc4c(N)c(cc(C2=O)c34)S(=O)(=O)[O-]
Molecular Formula
C19 H13 N2 O5 S . Na
Molecular Weight
404.37
InChI
InChI=1S/C19H14N2O5S.Na/c1-10-5-7-11(8-6-10)21-18(22)13-4-2-3-12-16(13)14(19(21)23)9-15(17(12)20)27(24,25)26;/h2-9H,20H2,1H3,(H,24,25,26);/q;+1/p-1
Additionnal Information
IUPAC name: sodium;6-amino-2-(4-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonate
Shipping Conditions
Room Temperature

Chemical Information

Brilliant sulfaflavine

Lissamine flavine FF is an organic sodium salt having 6-amino-2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonate as the counterion. It is used as the displacement dye in the yellowsolve I method for fibrin. It has a role as a histological dye. It contains a lissamine flavine FF(1-).

CAS Number2391-30-2
PubChem CID23678860
IUPAC Namesodium 6-amino-2-(4-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonate
Molecular FormulaC19H13N2NaO5S
Molecular Weight404.4
Topological Polar Surface Area129
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity731
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)[O-])C2=O.[Na+]
InChI
InChI=1S/C19H14N2O5S.Na/c1-10-5-7-11(8-6-10)21-18(22)13-4-2-3-12-16(13)14(19(21)23)9-15(17(12)20)27(24,25)26;/h2-9H,20H2,1H3,(H,24,25,26);/q;+1/p-1
InChIKey
HYLDLLCHFLSKAG-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Brilliant sulfaflavine
CAS: 2391-30-2
CID: 23678860
Formula: C19H13N2NaO5S
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass404.04428697
Monoisotopic Mass404.04428697
Topological Polar Surface Area129 Ų
Heavy Atom Count28
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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