| Revision as of 18:14, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 474617310 of page 4-Hydroxy-3-nitrobenzenearsonic_acid for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit |
Revision as of 18:15, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 452189620 of page 4-Hydroxy-4-methylpentanoic_acid for the Chem/Drugbox validation project (updated: 'CAS_number').Next edit → |
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} |
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} |
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{{Chembox |
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{{Drugbox |
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| verifiedrevid = 444387517 |
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| verifiedrevid = 447616705 |
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| IUPAC_name = 4-Hydroxy-4-methylpentanoic acid |
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| ImageFile = Roxarsone.png |
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| image = 4-Hydroxy-4-methylpentanoic acid.svg |
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| ImageFile_Ref = {{chemboximage|correct|??}} |
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| ImageSize = 121 |
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| width = 220 |
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| image2 = |
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| ImageName = Kekulé, skeletal formula of 4-hydroxy-3-nitrobenzenearsonic acid |
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| width2 = |
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| IUPACName = 4-Hydroxy-3-nitrobenzenearsonic acid{{Citation needed|date = June 2011}} |
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| SystematicName = (4-Hydroxy-3-nitrophenyl)arsonic acid<ref>{{Cite web|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5104&loc=ec_rcs|title = Roxarsone - PubChem Public Chemical Database|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information|at = Descriptors Computed from Structure}}</ref> |
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<!--Clinical data--> |
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| OtherNames = 3-Nitro-4-hydroxyphenyl arsonic acid{{Citation needed|date = June 2011}}<br /> |
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| tradename = |
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2-Nitrophenol-4-arsonic acid{{Citation needed|date = June 2011}} |
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| licence_EU = <!-- EMEA requires brand name --> |
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| Section1 = {{Chembox Identifiers |
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| licence_US = <!-- FDA may use generic name --> |
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| CASNo_Ref = {{cascite|correct|??}} |
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| CASNo = <!-- blanked - oldvalue: 121-19-7 --> |
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| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| PubChem = 5104 |
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| pregnancy_category = |
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| PubChem_Ref = {{Pubchemcite|correct|pubchem}} |
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| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
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| ChemSpiderID = 4925 |
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| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII --> |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C --> |
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| EINECS = 204-453-7 |
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| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
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| UNNumber = 3465 |
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| KEGG = D05771 |
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| legal_status = |
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| dependency_liability = |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| routes_of_administration = |
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| MeSHName = Roxarsone |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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<!--Pharmacokinetic data--> |
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| ChEBI = 35817 |
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| bioavailability = |
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| RTECS = CY5250000 |
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| protein_bound = |
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| Beilstein = 1976533 |
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| Gmelin = 1221211 |
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| metabolism = |
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| elimination_half-life = |
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| SMILES = Oc1ccc(cc1-n(:o):o)(O)(O)=O |
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| excretion = |
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| SMILES1 = OC1=CC=C(C=C1()=O)(O)(O)=O |
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| StdInChI = 1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12) |
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<!--Identifiers--> |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| CAS_number = <!-- blanked - oldvalue: 23327-19-7 --> |
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| InChI = 1/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12) |
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| ATC_prefix = |
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| StdInChIKey = XMVJITFPVVRMHC-UHFFFAOYSA-N |
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| ATC_suffix = |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| ATC_supplemental = |
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| InChIKey = XMVJITFPVVRMHC-UHFFFAOYAF |
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| PubChem = |
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}} |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| Section2 = {{Chembox Properties |
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| DrugBank = |
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| Formula = {{Chem|C|6|AsNH|6|O|6}} |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| MolarMass = 263.0365 g mol<sup>-1</sup> |
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| ChemSpiderID = 10466768 |
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| ExactMass = 262.941108346 g mol<sup>-1</sup> |
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| MeltingPt = >300 °C |
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<!--Chemical data--> |
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}} |
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| chemical_formula = |
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| Section3 = {{Chembox Hazards |
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| C=6 | H=12 | Br= | Cl= | Co= | F= | I= | N= | Na= | O=3 | P= | S= | Se= | charge = |
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| GHSPictograms = {{GHS skull and crossbones}} {{GHS environment}} |
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| molecular_weight = 132.16 |
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| GHSSignalWord = '''DANGER''' |
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| smiles = OC(CCC(C)(O)C)=O |
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| HPhrases = {{H-phrases|301|331|410}} |
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| InChI = 1/C6H12O3/c1-6(2,9)4-3-5(7)8/h9H,3-4H2,1-2H3,(H,7,8) |
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| PPhrases = {{P-phrases|261|273|301+310|311|501}} |
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| InChIKey = PQJUMPXLDAZULJ-UHFFFAOYAC |
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| EUClass = {{Hazchem T}} {{Hazchem N}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| RPhrases = {{R23/25}}, {{R50/53}} |
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| StdInChI = 1S/C6H12O3/c1-6(2,9)4-3-5(7)8/h9H,3-4H2,1-2H3,(H,7,8) |
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| SPhrases = {{S20/21}}, {{S28}}, {{S45}}, {{S60}}, {{S61}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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}} |
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| StdInChIKey = PQJUMPXLDAZULJ-UHFFFAOYSA-N |
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| synonyms = 4-Hydroxy-4-methylpentanoic acid |
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| density = |
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| melting_notes = |
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| boiling_point = |
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| solubility = |
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| specific_rotation = |
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| sec_combustion = |
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}} |
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}} |
