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

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Revision as of 18:26, 9 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456919391 of page Swainsonine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 18:27, 9 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 411959003 of page Symbescaline for the Chem/Drugbox validation project (updated: 'CASNo').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.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{chembox		{{chembox
		⚫	\| verifiedrevid = 411958104
	\| Verifiedfields = changed
		⚫	\| ImageFile = Symbescaline.png
⚫	\| verifiedrevid = ~~418127028~~
		⚫	\| ImageSize =
⚫	\| ImageFile = ~~Swainsonine structure~~.png
			\| IUPACName = 2-(3,5-diethoxy-4-methoxyphenyl)ethanamine
⚫	\| ImageSize = ~~200px~~
		⚫	\| OtherNames =
	\| IUPACName = (''1S,2R,8R,8aR'')-1,2,3,5,6,7,8,8a-Octahydroindolizine-
	1,2,8-triol
⚫	\| OtherNames = ~~Tridolgosir~~
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| InChI = 1/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
		⚫	\| ChemSpiderID = 21106384
	\| InChIKey = FXUAIOOAOAVCGD-WCTZXXKLBP
	\| ~~InChI1~~ = 1S/~~C8H15NO3~~/~~c10~~-5-2-1-3-9-4-~~6(11~~)8(12)7(5)~~9/h5~~-~~8,10-12H,1-4H2~~/t5-,6-,7-,8-~~/m1/s1~~		\| InChI = 1/C13H21NO3/c1-4-16-11-8-10(6-7-14)9-12(17-5-2)13(11)15-3/h8-9H,4-7,14H2,1-3H3
			\| InChIKey = ROKMKYBLAPLLER-UHFFFAOYAY
	\| InChIKey1 = FXUAIOOAOAVCGD-WCTZXXKLSA-N
	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|??}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| ChEMBL = 159684
⚫	\| CASNo = <!-- blanked - oldvalue: ~~72741~~-87-8 -->
⚫	\| PubChem = ~~51683~~
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~46788~~
	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| DrugBank = DB02034
	\| UNII_Ref = {{fdacite\|changed\|FDA}}
	\| UNII = RSY4RK37KQ
	\| KEGG_Ref = {{keggcite\|changed\|kegg}}
	\| KEGG = C10173
⚫	\| StdInChIKey_Ref = {{stdinchicite\|~~changed~~\|chemspider}}
⚫	\| StdInChIKey = ~~FXUAIOOAOAVCGD~~-~~WCTZXXKLSA~~-N
	\| SMILES = C1C(2((CN2C1)O)O)O
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| ChEMBL = ~~371197~~
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI =1S/~~C8H15NO3~~/~~c10~~-5-2-1-3-9-4-~~6(11~~)8(12)7(5)~~9/h5~~-~~8,10-12H,1-4H2~~/t5-,6-,7-,8-~~/m1/s1~~		\| StdInChI = 1S/C13H21NO3/c1-4-16-11-8-10(6-7-14)9-12(17-5-2)13(11)15-3/h8-9H,4-7,14H2,1-3H3
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	}}
		⚫	\| StdInChIKey = ROKMKYBLAPLLER-UHFFFAOYSA-N
		⚫	\| CASNo = <!-- blanked - oldvalue: 90109-61-8 -->
		⚫	\| PubChem =
			\| SMILES = COc1c(cc(cc1OCC)CCN)OCC}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| Formula = C<sub>13</sub>H<sub>21</sub>NO<sub>3</sub>
	\| C=8 \| H=15 \| N=1 \| O=3
	\| MolarMass = ~~173~~.2		\| MolarMass = 239.311 g/mol
	\| Appearance =		\| Appearance =
	\| Density =		\| Density =
	\| MeltingPt = ~~143-144 °C~~		\| MeltingPt =
	\| BoilingPt =		\| BoilingPt =
	\| Solubility = ~~10 mg/1 mL~~		\| Solubility = }}
	}}
	\| Section3 = {{Chembox Hazards		\| Section3 = {{Chembox Hazards
	\| MainHazards =		\| MainHazards =
	\| FlashPt =		\| FlashPt =
	\| Autoignition =		\| Autoignition = }}
	}}
	}}		}}

Revision as of 18:27, 9 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 411959003 of page Symbescaline with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 2-(3,5-diethoxy-4-methoxyphenyl)ethanamine
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL159684
ChemSpider	21106384
InChI InChI=1S/C13H21NO3/c1-4-16-11-8-10(6-7-14)9-12(17-5-2)13(11)15-3/h8-9H,4-7,14H2,1-3H3Key: ROKMKYBLAPLLER-UHFFFAOYSA-N InChI=1/C13H21NO3/c1-4-16-11-8-10(6-7-14)9-12(17-5-2)13(11)15-3/h8-9H,4-7,14H2,1-3H3Key: ROKMKYBLAPLLER-UHFFFAOYAY
SMILES COc1c(cc(cc1OCC)CCN)OCC
Properties
Chemical formula	C₁₃H₂₁NO₃
Molar mass	239.311 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

Chemical compound