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LY83583 - ≥98%, high purity , CAS No.91300-60-6
Basic Description
Specifications & Purity
≥98%
Storage Temp
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
LY83583 is an inhibitor of soluble guanylate cyclase and of cGMP production.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinoline quinones
Intermediate Tree Nodes
Not available
Direct Parent
Quinoline quinones
Alternative Parents
Hydroquinolines Aryl ketones Aniline and substituted anilines Secondary alkylarylamines Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline quinone - Dihydroquinoline - Aniline or substituted anilines - Aryl ketone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketone - Enamine - Azacycle - Secondary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoline quinones. These are quinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.
External Descriptors
quinone - aromatic amine - aminoquinoline - quinolone
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
6-anilinoquinoline-5,8-dione
INCHI
InChI=1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H
InChIKey
GXIJYWUWLNHKNW-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)C=CC=N3
Isomeric SMILES
C1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)C=CC=N3
WGK Germany
3
PubChem CID
3976
Molecular Weight
250.25
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
250.250 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
250.074 Da
Monoisotopic Mass
250.074 Da
Topological Polar Surface Area
59.100 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
410.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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