Roxarsone
fo-f9fd50248c3c3b16
Identity
- Type
- Neutral molecule
- CAS
- 121-19-7
- EC
- 204-453-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
What it is used for
1
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
Alternative labels
23- (4-hydroxy-3-nitrophenyl)arsonic acid
- 2-nitro-1-hydroxybenzene-4-arsonic acid
- 3-Nitro
- 3-Nitro-10
- 3-Nitro-20
- 3-nitro-4-hydroxybenzenearsonic acid
- 3-Nitro-4-hydroxyphenyl arsenic acid
- 3-nitro-4-hydroxyphenylarsonic acid
- 3-Nitro-50
- 3-Nitro-80
- 4-hydroxy-3-nitrobenzenearsonic acid
- 4-hydroxy-3-nitrophenylarsonic acid
- Aklomix-3
- Arsonic acid, (4-hydroxy-3-nitrophenyl)-
- Arsonic acid, As-(4-hydroxy-3-nitrophenyl)-
- As-(4-Hydroxy-3-nitrophenyl)arsonic acid
- Benzenearsonic acid, 4-hydroxy-3-nitro-
- MeSH ID: D012406
- p-Hydroxy-m-nitrophenylarsonic acid
- Ren-O-Sal
- Ristat
- roxarson
- roxarsonum
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XMVJITFPVVRMHC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12) |
| IUPAC name chemrof:IUPAC_name | (4-hydroxy-3-nitrophenyl)arsonic acid |
| Molecular formula chemrof:molecular_formula | C6H6AsNO6 |
| Molecular mass chemrof:molecular_mass | 263.037 |
| Monoisotopic mass chemrof:monoisotopic_mass | 262.941108, 262.94111 |
| SMILES string chemrof:smiles_string | O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O |
Known URLs
31Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=121-19-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35817 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.049 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9020956 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11458 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2101 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757312 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1321154 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1221211 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H5GU9YQL7L | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033205 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.334A | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D05771 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5383 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45942 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76429 | enrich_references.pubchem_identifier_url |
| patent | patent:DE224953 | enrich_references.chebi_xrefs |
| patent | patent:GB226255 | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1321154 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5104 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1557 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019870 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12724787 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12731831 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12731832 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18414637 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21388897 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1976533 | enrich_references.chebi_xrefs |
| vsdb | vsdb:3003 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q3049725 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Roxarsone | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0c58fd36-3f16-459b-9789-828a0229acfb | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 606dd083-a57f-4e7f-8171-b656aeabc4b7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| f46b0286-ede0-42cb-be02-a8f115db6275 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| 9cd7f62c-fc4c-4a87-8d14-78e963380884 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ab47d54e-b337-4d25-9ed5-37509dbb3f99 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| d3742c89-6dd0-4a5b-887c-7ab7da82d8b5 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| e34bba41-2ccf-4866-b6b1-7c6d243c3c72 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 12e13f2e-dbc1-4a2d-876d-a9228a4bd844 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 338cf7f9-4470-4fcc-9571-95e6d0f5e6fc | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| d77750e6-500c-48bb-a298-4df01f37b109 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a78d3cd3-46dc-4d58-a282-40ca7909b442 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 0fb3b862-3227-4ca3-aead-bd4dc55d88b6 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 85d2c6e6-6893-4230-bff9-6d5f701680da | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works