Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 14:30, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 458437763 of page Troglitazone for the Chem/Drugbox validation project (updated: 'DrugBank', 'CAS_number').← Previous edit		Revision as of 14:30, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 450473508 of page Trolamine_salicylate for the Chem/Drugbox validation project (updated: '').Next edit →
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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.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Drugbox~~		{{Chembox
			\|verifiedrevid =402707114
	\| Verifiedfields = changed
			\|ImageFile =Trolamine salicylate.png
	\| verifiedrevid = 458436759
			\|ImageSize =200px
	\| IUPAC_name = (''RS'')-5-(4-benzyl)thiazolidine-2,4-dione
			\|IUPACName =Tris(2-hydroxyethyl)ammonium 2-hydroxybenzoate
	\| image = Troglitazone structure.png
			\|OtherNames =
	\| width = 220px
			\|Section1 ={{Chembox Identifiers
	\| imagename = Chemical structure of troglitazone
	\| drug_name = Troglitazone

	<!--Clinical data-->
	\| tradename =
	\| pregnancy_category =
	\| legal_status =
	\| routes_of_administration =

	<!--Pharmacokinetic data-->
	\| bioavailability =
	\| protein_bound =
	\| metabolism =
	\| elimination_half-life = 16-34 hours

	<!--Identifiers-->
	\| CAS_number_Ref = {{cascite\|changed\|??}}
	\| CAS_number = <!-- blanked - oldvalue: 97322-87-7 -->
	\| ATC_prefix = A10
	\| ATC_suffix = BG01
	\| ATC_supplemental =
	\| PubChem = 5591
	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| DrugBank = DB00197
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~5389~~		\|ChemSpiderID =23549
			\|InChI =1/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\|InChIKey =UEVAMYPIMMOEFW-UHFFFAOYAM
	\| UNII = I66ZZ0ZN0E
	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|correct\|~~kegg~~}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\|StdInChI =1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2
	\| KEGG = D00395
	\| ~~ChEBI_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\|StdInChIKey =UEVAMYPIMMOEFW-UHFFFAOYSA-N
	\| ChEBI = 9753
	\| ~~ChEMBL_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}		\|CASNo_Ref ={{cascite\|correct\|CAS}}
			\|CASNo =2174-16-5
	\| ChEMBL = 408
			\|PubChem =25213

			\|SMILES =O=C(O)c1ccccc1O.OCCN(CCO)CCO}}
	<!--Chemical data-->
			\|Section2 ={{Chembox Properties
	\| C=24 \| H=27 \| N=1 \| O=5 \| S=1
			\|Formula =C<sub>13</sub>H<sub>21</sub>NO<sub>6</sub>
	\| molecular_weight = 441.541 g/mol
			\|MolarMass =287.31 g/mol
	\| smiles = O=C1NC(=O)SC1Cc4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc4
			\|Appearance =
	\| InChI = 1/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)
			\|Density =
	\| InChIKey = GXPHKUHSUJUWKP-UHFFFAOYAV
			\|MeltingPt =
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\|BoilingPt =
	\| StdInChI = 1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)
			\|Solubility = }}
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\|Section3 ={{Chembox Hazards
⚫	\| StdInChIKey = ~~GXPHKUHSUJUWKP~~-UHFFFAOYSA-N
			\|MainHazards =
			\|FlashPt =
			\|Autoignition = }}
	}}		}}

Revision as of 14:30, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 450473508 of page Trolamine_salicylate with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name Tris(2-hydroxyethyl)ammonium 2-hydroxybenzoate
Identifiers
CAS Number	2174-16-5
3D model (JSmol)	Interactive image
ChemSpider	23549
PubChem CID	25213
InChI InChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2Key: UEVAMYPIMMOEFW-UHFFFAOYSA-N InChI=1/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2Key: UEVAMYPIMMOEFW-UHFFFAOYAM
SMILES O=C(O)c1ccccc1O.OCCN(CCO)CCO
Properties
Chemical formula	C₁₃H₂₁NO₆
Molar mass	287.31 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound