Revision as of 17:53, 9 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456777155 of page Spiroxatrine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit |
Revision as of 17:53, 9 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 469308759 of page Squaric_acid for the Chem/Drugbox validation project (updated: '').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|chembox}}) taken from revid of page ] with values updated to verified values.}} |
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{{chembox |
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{{chembox |
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| verifiedrevid = 440310522 |
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| UNII_Ref = {{fdacite|changed|FDA}} |
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|Reference=<ref name=sigma>. ]</ref> |
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| UNII = DR0QR50ALL |
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|ImageFileL1 = Squaric acid.svg |
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| verifiedrevid = 418121034 |
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|ImageSizeL1 = 120px |
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|ImageFile=Spiroxatrine.svg |
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|ImageNameL1 = Structural formula (carbon atoms omitted) |
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|ImageSize= |
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|ImageFileR1 = Squaric-acid-3D-balls.png |
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|IUPACName=8-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspirodecan-4-one |
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|ImageSizeR1 = 110px |
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|OtherNames= |
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|ImageNameR1 = Ball-and-stick-model |
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|IUPACName = 3,4-Dihydroxycyclobut-3-ene-1,2-dione |
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|OtherNames = Quadratic acid |
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|Section1={{Chembox Identifiers |
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|Section1={{Chembox Identifiers |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 5078 |
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| ChemSpiderID = 16919 |
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| InChI = 1/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H |
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| InChI = 1/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26) |
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| InChIKey = JVGBTTIJPBFLTE-UHFFFAOYAW |
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| InChIKey = PWEBUXCTKOWPCW-UHFFFAOYAC |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 300555 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H |
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| StdInChI = 1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26) |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = JVGBTTIJPBFLTE-UHFFFAOYSA-N |
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| StdInChIKey = PWEBUXCTKOWPCW-UHFFFAOYSA-N |
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| CASNo_Ref = {{cascite|correct|??}} |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CASNo = <!-- blanked - oldvalue: 1054-88-2 --> |
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| CASNo=2892-51-5 |
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| PubChem=5268 |
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| PubChem=17913 |
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| SMILES = c1(c(c(=O)c1=O)O)O |
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| IUPHAR_ligand = 53 |
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| SMILES = O=C2NCN(c1ccccc1)C23CCN(CC3)CC4Oc5ccccc5OC4 |
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| MeSHName=Spiroxatrine |
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}} |
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|Section2={{Chembox Properties |
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|Section2={{Chembox Properties |
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| Formula=C<sub>4</sub>H<sub>2</sub>O<sub>4</sub> |
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| C=22|H=25|N=3|O=3 |
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| MolarMass=114.06 g/mol |
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| Appearance= |
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| Appearance=Gray powder |
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| Density= |
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| Density= |
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| MeltingPt= >300 °C |
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| Solubility= |
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| Solubility= |
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|Section3={{Chembox Hazards |
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|Section3={{Chembox Hazards |
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| MainHazards= |
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| MainHazards= |
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| FlashPt=190 °C<ref name=alpha>. Alfa Aesar</ref> |
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| FlashPt= |
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| Autoignition= |
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| Autoignition= |
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| RPhrases = {{R36/37/38}} {{R43}} |
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| SPhrases = {{S26}} {{S36}} |
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