Sodium Stibocaptate
PubChem CID
18293
Structure
Molecular Formula
Synonyms
- Sodium stibocaptate
- Astiban
- TWSb
- Twsb/6
- VFV49ULL8Q
Molecular Weight
916.0 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2005-08-08
- Modify:2025-01-11
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt, too many undefined stereo centers
hexasodium;2-[1,2-dicarboxylato-2-[(4,5-dicarboxylato-1,3,2-dithiastibolan-2-yl)sulfanyl]ethyl]sulfanyl-1,3,2-dithiastibolane-4,5-dicarboxylate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/3C4H6O4S2.6Na.2Sb/c3*5-3(6)1(9)2(10)4(7)8;;;;;;;;/h3*1-2,9-10H,(H,5,6)(H,7,8);;;;;;;;/q;;;6*+1;2*+3/p-12
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
AOGOCZMBIYQOFE-UHFFFAOYSA-B
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1(C(S[Sb](S1)SC(C(C(=O)[O-])S[Sb]2SC(C(S2)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H6Na6O12S6Sb2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
3064-61-7
1986-66-9 (Parent)
133-94-8
- 2,3-dimercaptosuccinic acid-cyclic-thioantimonate
- Antiban
- antimony dimercaptosuccinate
- Astiban
- stibocaptate
- stibocaptate, hexasodium salt
- Sodium stibocaptate
- Astiban
- TWSb
- Twsb/6
- VFV49ULL8Q
- Natrii stibocaptas
- Sodium Stibocaptate [INN]
- Estibocaptato sodico
- Sb-58
- Natrii stibocaptas [INN-Latin]
- Antimony dimercaptosuccinate(IV)
- Ro 4-1544-6
- Stibocaptate de sodium
- TWS-B
- Estibocaptato sodico [INN-Spanish]
- STIBOCAPTATE SODIUM
- UNII-VFV49ULL8Q
- Stibocaptate de sodium [INN-French]
- WR 7035
- Ro 4-1544/6
- Sodium stibocaptate [INN:BAN]
- Sodium antimony-2,3-meso-dimercaptosuccinate
- DTXSID80274606
- SODIUM STIBOCAPTATE [MART.]
- Hexasodium salt of the S,S-diester of the cyclic thioantimonate(III) of 2,3-dimercaptosuccinic acid
- RO-4-1544-6
- 3064-61-7
- Hexanatrium meso-S,S-bis-(2,3-dimercaptosuccinato-S,S-antimon(III)=2,3-dimercaptosuccinat
- 1,3,2-Dithiastibolane-4,5-dicarboxylic acid, 2,2'-((1,2-dicarboxy-1,2-ethanediyl)bis(thio))bis-, hexasodium salt
- Hexanatriumsalz des S,S-diester des cyclischen thioantimonats(III) der 2,3-dimercaptobensteinsaeure
- Natrii stibocaptas (INN-Latin)
- Estibocaptato sodico (INN-Spanish)
- SODIUM STIBOCAPTATE (MART.)
- Stibocaptate de sodium (INN-French)
- Natriumstibocaptat
- estibocaptato de sodio
- STIBOCAPTATE [MI]
- DTXCID90226075
- Q27291817
- 2,2'-[(1,2-Dicarboxyethylene)bis(thio)]bis[1,3,2-dithiastibolane-4,5-dicarboxylic]acid
- 133-94-8
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
916.0 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
18
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
915.56500 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
913.56459 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
393 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
38
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
687
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
6
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
7
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=AOGOCZMBIYQOFE-UHFFFAOYSA-B
- ChemIDplusSodium stibocaptate [INN:BAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0003064617ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxSodium stibocaptatehttps://comptox.epa.gov/dashboard/DTXSID80274606CompTox 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#linkingSODIUM STIBOCAPTATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/VFV49ULL8Q
- 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
- Springer Nature
- Wikidatasodium stibocaptatehttps://www.wikidata.org/wiki/Q27291817
- PubChem
- 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.htmlstibocaptatehttps://www.ncbi.nlm.nih.gov/mesh/67004443
- PATENTSCOPE (WIPO)SID 403610865https://pubchem.ncbi.nlm.nih.gov/substance/403610865
CONTENTS