Nedocromil Calcium
PubChem CID
68731
Structure
Molecular Formula
Synonyms
- Nedocromil calcium
- 101626-68-0
- FPL 59002KC
- Nedocromil calcium [USAN]
- UNII-0983W479HH
Molecular Weight
409.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2005-08-08
- Modify:2025-01-18
Description
Nedocromil calcium is an organic calcium salt. It contains a nedocromil(2-).
Nedocromil Calcium is the calcium salt form of nedocromil, a pyranoquinolone derivative with anti-inflammatory properties. Nedocromil inhibits the activation and release of inflammatory mediators (leukotrienes, histamine and prostaglandins) from a variety of cells involved in hypersensitivity reactions, including mast cells, eosinophils, neutrophils, macrophages, monocytes and platelets. As a result, nedocromil sodium inhibits both immediate and late bronchoconstriction, decreases bronchial hyperresponsiveness and inhibits recruitment of other inflammatory cells into the airway epithelium.
A pyranoquinolone derivative that inhibits activation of inflammatory cells which are associated with ASTHMA, including EOSINOPHILS; NEUTROPHILS; MACROPHAGES; MAST CELLS; MONOCYTES; AND PLATELETS.
Chemical Structure Depiction
3D Conformer of Parent
calcium;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C19H17NO7.Ca/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);/q;+2/p-2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
FGUNXXYEYHFDNX-UHFFFAOYSA-L
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=O)C=C(N2CC)C(=O)[O-].[Ca+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H15CaNO7
Computed by PubChem 2.2 (PubChem release 2021.10.14)
101626-68-0
69049-73-6 (Parent)
- 9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)quinoline-2,8-dicarboxylic acid
- Alocril
- Brionil
- Calcium, Nedocromil
- Cetimil
- FPL 59002
- FPL-59002
- FPL59002
- Halamid
- Irtan
- Nedocromil
- Nedocromil Calcium
- Nedocromil Sodium
- Nedocromil, Calcium Salt (1:1)
- Nedocromil, Disodium Salt
- Nedocromil, Disodium salt, Hydrate
- Rapitil
- Sodium, Nedocromil
- Tilad
- Tilade
- Tilaire
- Tilavist
- Nedocromil calcium
- 101626-68-0
- FPL 59002KC
- Nedocromil calcium [USAN]
- UNII-0983W479HH
- CHEBI:51030
- FPL-59002KC
- 0983W479HH
- Nedocromil calcium (USAN)
- calcium 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylate
- DTXSID00144074
- NEDOCROMIL CALCIUM [WHO-DD]
- 4H-Pyrano(3,2-g)quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, calcium salt (1:1)
- Calcium 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)quinoline-2,8-dicarboxylate (1:1)
- calcium;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate
- 4H-Pyrano[3,2-g]quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, calcium salt (1:1)
- calcium 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano(3,2-g)quinoline-2,8-dicarboxylate
- Calcium 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylate (1:1)
- Calcium, Nedocromil
- SCHEMBL667051
- CHEMBL2105133
- DTXCID2066565
- FGUNXXYEYHFDNX-UHFFFAOYSA-L
- Nedocromil, Calcium Salt (1:1)
- D05130
- Q27122281
- Calcium 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano-[3,2-g]-quinoline-2,8-dicarboxylate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
409.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
409.0474427 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
409.0474427 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
127 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
28
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
742
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Anti-Asthmatic Agents
Drugs that are used to treat asthma. (See all compounds classified as Anti-Asthmatic Agents.)
Mast Cell Stabilizers
Compounds that prevent the release of inflammatory mediators from MAST CELLS. (See all compounds classified as Mast Cell Stabilizers.)
Anti-Allergic Agents
Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475) (See all compounds classified as Anti-Allergic Agents.)
Anti-Inflammatory Agents
Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)
- ChEBINedocromil calciumhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51030
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplusNedocromil calcium [USAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0101626680ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxNedocromil calciumhttps://comptox.epa.gov/dashboard/DTXSID00144074CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingNEDOCROMIL CALCIUMhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/0983W479HH
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlAnatomical Therapeutic Chemical (ATC) classificationhttp://www.genome.jp/kegg-bin/get_htext?br08303.keg
- Wikidatanedocromil calciumhttps://www.wikidata.org/wiki/Q27122281
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlAnti-Asthmatic Agentshttps://www.ncbi.nlm.nih.gov/mesh/68018927Mast Cell Stabilizershttps://www.ncbi.nlm.nih.gov/mesh/2051968Anti-Allergic Agentshttps://www.ncbi.nlm.nih.gov/mesh/68018926Anti-Inflammatory Agentshttps://www.ncbi.nlm.nih.gov/mesh/68000893
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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