Lumiflavine

CAT: 0024-sc-224045ASize: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-224045ASize:100 mg

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CAS Number

1088-56-8

Chemical Information

Lumiflavin

Lumiflavin is a compound showing yellow-green fluorescence, formed by a photolysis of riboflavin in alkaline solution.

CAS Number	1088-56-8
PubChem CID	66184
IUPAC Name	7,8,10-trimethylbenzo[g]pteridine-2,4-dione
Molecular Formula	C13H12N4O2
Molecular Weight	256.26
XLogP	1.1
Topological Polar Surface Area	74.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	19
Formal Charge	0
Complexity	511

SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C

InChI

InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)

InChIKey

KPDQZGKJTJRBGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1088-56-8

CID: 66184

Formula: C13H12N4O2

MW: 256.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.26
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	256.09602564
Monoisotopic Mass	256.09602564
Topological Polar Surface Area	74.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	511
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-489323	Lumiflavin 5-Oxide
sc-482567	N3-Methanethiosulfonylmethyl Lumiflavin
sc-489319	Lumiflavin-3-acetic Acid
sc-489321	Lumiflavin-3-acetic Acid Ethyl Ester

Catalog	Name
GTR19316283-01	Lumiflavine
T31689	Ethanol lumiflavine
281336-01	Lumiflavine discontinued. See 015703