Tricyclo[3.3.1.1~3,7~]tetraarsoxane
PubChem CID
518605
Structure
Molecular Formula
Synonyms
- As4O6
- tetraarsenic oxide
- tricyclo[3.3.1.1~3,7~]tetraarsoxane
- Arsentrioxid
- 12505-67-8
Molecular Weight
395.68 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Description
An inorganic compound with the chemical formula As2O3 that is used for the treatment of ACUTE PROMYELOCYTIC LEUKEMIA in patients who have relapsed from, or are resistant to, conventional drug therapy.
See also: Arsenic Trioxide (annotation moved to); Oxoarsenic (annotation moved to); Arsenolite (annotation moved to).
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element
COD Number
Associated Article
Lihl, F. Praezisionsbestimmung der Gitterkonstanten von As~2~ O~3~. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 1932;81:142-147.
Hermann-Mauguin space group symbol
F d -3 m :1
Hall space group symbol
F 4d 2 3 -1d
Space group number
227
a
11.0457 Å
b
11.0457 Å
c
11.0457 Å
α
90 °
β
90 °
γ
90 °
Z
16
Z'
0.0833333333333333
2,4,6,8,9,10-hexaoxa-1,3,5,7-tetrarsatricyclo[3.3.1.13,7]decane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/As4O6/c5-1-6-3-8-2(5)9-4(7-1)10-3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
KTTMEOWBIWLMSE-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
O1[As]2O[As]3O[As]1O[As](O2)O3
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
As4O6
Computed by PubChem 2.2 (PubChem release 2021.10.14)
1327-53-3
12505-67-8
- arsenic oxide (As2O3)
- arsenic oxide (As4O6)
- arsenic trioxide
- arsenic(III) oxide
- arsenolite
- arsenous anhydride
- As2O3
- As4O6
- diarsenic trioxide
- naonobin
- Tetra Arsenic Hexaoxide
- Tetra Arsenic Oxide
- tetra-arsenic hexaoxide
- tetra-arsenic oxide
- tetraarsenic hexaoxide
- tetraarsenic oxide
- Trisenox
- Trixenox
- As4O6
- tetraarsenic oxide
- tricyclo[3.3.1.1~3,7~]tetraarsoxane
- Arsentrioxid
- 12505-67-8
- As2O3
- CHEBI:30621
- DTXSID40925001
- KTTMEOWBIWLMSE-UHFFFAOYSA-N
- HMS2093H20
- Pharmakon1600-01505957
- NSC759274
- 2,4,6,8,9,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.13,7]decane
- tricyclo[3.3.1.1(3,7)]tetraarsoxane
- SBI-0206862.P001
- 2,4,6,7,8,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.1<3,7>]decane
- 2,4,6,7,8,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.13,7]decane
- 2,4,6,8,9,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.1<3,7>]decane
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
395.68 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
6
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
395.65587 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
395.65587 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
55.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
84.8
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
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
286555
Library
Main library
Total Peaks
19
m/z Top Peak
396
m/z 2nd Highest
91
m/z 3rd Highest
289
Thumbnail
NIST Number
404188
Library
Replicate library
Total Peaks
11
m/z Top Peak
396
m/z 2nd Highest
91
m/z 3rd Highest
289
Thumbnail
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.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- Arsenic Trioxide (annotation moved to)
- Oxoarsenic (annotation moved to)
- Arsenolite (annotation moved to)
Antineoplastic Agents
Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=KTTMEOWBIWLMSE-UHFFFAOYSA-N
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=KTTMEOWBIWLMSE-WYOYWPDXSA-N
- ChEBIDiarsenic trioxidehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30621
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- DTP/NCILICENSEUnless 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-reuse
- EPA DSSToxTricyclo[3.3.1.1~3,7~]tetraarsoxanehttps://comptox.epa.gov/dashboard/DTXSID40925001CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law2,4,6,8,9,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.1<3,7>]decanehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase2,4,6,8,9,10-Hexaoxa-1,3,5,7-tetraarsatricyclo[3.3.1.1<3,7>]decanehttps://spectrabase.com/spectrum/Ikq09LV7LAv
- Springer Nature
- WikidataTricyclo[3.3.1.1~3,7~]tetraarsoxanehttps://www.wikidata.org/wiki/Q82899233
- 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.htmlArsenic Trioxidehttps://www.ncbi.nlm.nih.gov/mesh/2027948Antineoplastic Agentshttps://www.ncbi.nlm.nih.gov/mesh/68000970
- PubChem
- 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.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389450375https://pubchem.ncbi.nlm.nih.gov/substance/389450375SID 481824612https://pubchem.ncbi.nlm.nih.gov/substance/481824612
- NCBI
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