1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, sodium salt (1:1)
PubChem CID
16220071
Structure
Molecular Formula
Synonyms
- Uric acid sodium salt
- 1198-77-2
- 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, sodium salt (1:1)
- NCGC00181049-01
- Monosodium urate (crystals)
Molecular Weight
191.10 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2007-07-16
- Modify:2024-12-28
Chemical Structure Depiction
3D Conformer of Parent
InChI=1S/C5H4N4O3.Na/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h(H4,6,7,8,9,10,11,12);
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XDKLKFULWJYRCB-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C12=C(NC(=O)N1)NC(=O)NC2=O.[Na]
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C5H4N4NaO3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Compound: 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, sodium salt (1:2)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
191.10 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
191.01810928 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
191.01810928 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
99.3Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
332
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
EPA TSCA Commercial Activity Status
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, sodium salt (1:1): ACTIVE
New Zealand EPA Inventory of Chemical Status
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, monosodium salt: Does not have an individual approval but may be used under an appropriate group standard
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, sodium salt (1:2)https://commonchemistry.cas.org/detail?cas_rn=134-69-0Monosodium uratehttps://commonchemistry.cas.org/detail?cas_rn=1198-77-2
- EPA Chemicals under the TSCA1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, sodium salt (1:1)https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice7,9-dihydro-1H-purine-2,6,8(3H)-trione, monosodium salthttps://echa.europa.eu/substance-information/-/substanceinfo/100.013.489
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, monosodium salthttps://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/
- Springer Nature
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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