Coumarin 314

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Coumarin 314

Coumarin 314 | 55804-66-5

Catelog Number A17-0002
Category Coumarin
Molecular Formula C18H19NO4
Molecular Weight 313.35
Catalog Number Size Price Quantity
A17-0002 -- $--

Product Introduction

Coumarin 314 is a compound with a fluorescent group. It has powerful anti-inflammatory, analgesic and anti-cancer abilities, and plays an important role in suppressing pain, diluting coagulation factors in the blood, and fighting malignant tumors. It greatly hinders the targeted enzymes and mechanisms involved in the above-mentioned diseases.

Chemical Information

Synonyms 2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, ethyl ester; Coumarin 504; 2,3,5,6-1H,4H-Tetrahydro-9-carbethoxyquinolizino-[9,9a,1-gh]coumarin
IUPAC Name ethyl 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate
Canonical SMILES CCOC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3
InChI InChI=1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3
InChI Key VMJKUPWQKZFFCX-UHFFFAOYSA-N

Product Specification

Storage 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light.
Application Coumarins are used as fluorescent dyes and as laser dyes.

Computed Properties

XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 313.13140809 g/mol
Monoisotopic Mass 313.13140809 g/mol
Topological Polar Surface Area 55.8Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 543
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

Patents

Publication NumberTitlePriority Date
EP-4105035-A1 Label and system for verifying the authenticity of items and method for verifying authenticity of items 2021-06-15
WO-2022263301-A1 Label and system for verifying the authenticity of items and method for verifying authenticity of items 2021-06-15
CN-113270786-B Solid-state dye laser gain medium and preparation method thereof 2021-05-12
US-2022315614-A1 Reducing agents and uses thereof 2021-03-19
US-2022153932-A1 Prepolymers of 1,1-dicarbonyl substituted-1-alkene, methods to make them, polymers made from them and methods to make the polymer 2020-11-18
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