| Revision as of 10:43, 20 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 472073647 of page Thiacloprid for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous 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 = 444224829 |
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| verifiedrevid = 477001424 |
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| IUPAC_name = 2-Oxo-<small>L</small>-threo-hexono-1,4-lactone-2,3-enediol<br />''or''<br />(''R'')-3,4-dihydroxy-5-((''S'')- 1,2-dihydroxyethyl)furan-2(5''H'')-one |
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| ImageFile = Thiacloprid structure.svg |
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| image = L-Ascorbic_acid.svg |
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| ImageSize = 200px |
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| width = 200px |
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| IUPACName = {(2''Z'')-3--1,3-thiazolidin-2-ylidene}cyanamide |
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| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png |
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| OtherNames = -2-thiazolidinylidene]cyanamide |
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| width2 = 200px |
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| Section1 = {{Chembox Identifiers |
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| CASNo = <!-- blanked - oldvalue: 111988-49-9 --> |
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<!--Clinical data--> |
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| CASNo_Ref = {{cascite|correct|??}} |
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| Drugs.com = {{drugs.com|MTM|vitamin_c}} |
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| ChEMBL = 451432 |
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| licence_EU = <!-- EMEA requires brand name --> |
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| PubChem = 115224 |
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| licence_US = <!-- FDA may use generic name --> |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
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| ChemSpiderID = 103099 |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| pregnancy_category = A |
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| DrugBank = DB08620 |
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| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 --> |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII --> |
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| UNII = DSV3A944A4 |
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| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C --> |
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| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
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| legal_status = general public availability |
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| routes_of_administration = oral |
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<!--Pharmacokinetic data--> |
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| bioavailability = rapid & complete |
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| protein_bound = negligible |
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| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores --> |
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| excretion = renal |
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<!--Identifiers--> |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CAS_number_Ref = {{cascite|correct|??}} |
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| CAS_number = 50-81-7 |
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| ATC_prefix = A |
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| ATC_suffix = 11G |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEBI = 39176 |
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| ChEBI = 29073 |
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| PubChem = 5785 |
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| SMILES = Clc1ncc(cc1)CN2C(=N\C#N)\SCC2 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| DrugBank = DB00126 |
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| StdInChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10- |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 10189562 |
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| StdInChIKey = HOKKPVIRMVDYPB-UVTDQMKNSA-N |
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| NIAID_ChemDB = 002072 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = PQ6CK8PD0R |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = C18512 |
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| KEGG = D00018 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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}} |
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| ChEMBL = 196 |
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| Section2 = {{Chembox Properties |
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| Reference = <ref name=EPA>, ]</ref> |
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<!--Chemical data--> |
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| C=10|H=9|Cl=1|N=4|S=1 |
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| chemical_formula = |
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| Appearance = Yellowish crystalline solid |
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| Density = 1.46 g at 20 °C |
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| C=6 | H=7 | O=6 |
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| molecular_weight = 176.12 g/] |
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| MeltingPtC = 136 |
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| smiles = C((1C(=C(C(=O)O1)O)O)O)O |
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| BoilingPt = |
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| InChI = 1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
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| Solubility = 185 mg/L at 20°C<ref name=Bayer>{{cite web|title=Thiacloprid|url=http://compendium.bayercropscience.com/BAYER/CropScience/CropCompendium/BCSCropComp.nsf/id/thiacloprid.htm|work=Bayer CropScience Crop Compendium|publisher=Bayer CropScience|accessdate=30 November 2011}}</ref> |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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}} |
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| StdInChI = 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
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| Section3 = {{Chembox Hazards |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| MainHazards = |
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| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
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| FlashPt = |
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| synonyms = <small>L</small>-ascorbic acid |
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| Autoignition = |
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| density = 1.694 |
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| melting_point = 190 |
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| boiling_point = 553 |
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}} |
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}} |
