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

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Revision as of 04:46, 17 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,083 edits Saving copy of the {{chembox}} taken from revid 445026678 of page Allopumiliotoxin_267A for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 04:47, 17 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,083 edits Saving copy of the {{chembox}} taken from revid 457807104 of page Allantoic_acid for the Chem/Drugbox validation project (updated: 'ChEBI', 'KEGG', '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
			\| Verifiedfields = changed
	\| verifiedrevid = ~~399494955~~		\| verifiedrevid = 457805951
	\|ImageFile=Allopumiliotoxin267A.png
			\| ImageFile = Allantoic acid.png
	\|ImageSize=~~240~~		\| ImageSize = 180px
	\|IUPACName=(7''R'',8''R'',8a''S'')-8-Methyl-6--1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
			\| PIN = 2,2-Diureidoacetic acid
	\|OtherNames=
			\| SystematicName = 2,2-Bis(carbamoylamino)acetic acid
⚫	\|Section1={{Chembox Identifiers
			\| OtherNames = 2,2-Diacetic acid<br />
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			Diureidoacetate
⚫	\| ChemSpiderID = ~~4580699~~
		⚫	\| Section1 = {{Chembox Identifiers
	\| InChI = 1/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10+/t12-,14+,15-,16-/m1/s1
			\| InChI1 = 1/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
	\| InChIKey = LWXKAVPXEDNHLL-VRUXTKGDBX
			\| InChIKey1 = NUCLJNSWZCHRKL-UHFFFAOYAF
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| SMILES1 = O=C(NC(C(=O)O)NC(=O)N)N
	\| StdInChI = 1S/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10+/t12-,14+,15-,16-/m1/s1
			\| CASNo_Ref = {{cascite\|changed\|??}}
		⚫	\| CASNo = <!-- blanked - oldvalue: 99-16-1 -->
		⚫	\| PubChem = 203
			\| PubChem_Ref = {{pubchemcite\|correct\|??}}
		⚫	\| ChemSpiderID = 198
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| EINECS = 202-735-4
			\| KEGG_Ref = {{keggcite\|changed\|kegg}}
			\| KEGG = <!-- blanked - oldvalue: C00499 -->
			\| MeSHName = Allantoic+acid
			\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
			\| ChEBI = 30837
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~LWXKAVPXEDNHLL~~-~~VRUXTKGDSA~~-N		\| StdInChIKey = NUCLJNSWZCHRKL-UHFFFAOYSA-N
			\| SMILES = NC(=O)NC(NC(N)=O)C(O)=O
⚫	\| CASNo = <!-- blanked - oldvalue: ~~73376~~-38-2 -->
			\| InChI = 1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
⚫	\| PubChem = ~~5470308~~
			\| InChIKey = NUCLJNSWZCHRKL-UHFFFAOYSA-N
	\| SMILES = O1C(=C\(C)CCCC)\CN2(1(O)C)CCC2
			\| Beilstein = 1790227
	}}
			\| 3DMet = B01270}}
	\|Section2={{Chembox Properties		\|Section2= {{Chembox Properties
	\| C=16 \| H=29 \| N=1 \| O=2
			\| Formula=C<sub>4</sub>H<sub>8</sub>N<sub>4</sub>O<sub>4</sub>
	\| Appearance=		\| Appearance=
	\| Density=		\| Density= 1.618 g/cm<sup>3</sup>
	\| MeltingPt=
	\| BoilingPt=
	\| Solubility=		\| Solubility=
	}}		}}
	\|Section3={{Chembox Hazards		\|Section3= {{Chembox Hazards
		⚫	\| FlashPt=219.4 °C
	\| MainHazards=Highly toxic
⚫	\| FlashPt=
	\| Autoignition=
	}}		}}
	}}		}}

Revision as of 04:47, 17 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 457807104 of page Allantoic_acid with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

Preferred IUPAC name 2,2-Diureidoacetic acid
Systematic IUPAC name 2,2-Bis(carbamoylamino)acetic acid
Other names 2,2-Diacetic acid Diureidoacetate
Identifiers
3D model (JSmol)	Interactive image Interactive image
Beilstein Reference	1790227
ChEBI	CHEBI:30837
ChemSpider	198
EC Number	202-735-4
MeSH	Allantoic+acid
PubChem CID	203
InChI InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)Key: NUCLJNSWZCHRKL-UHFFFAOYSA-N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)Key: NUCLJNSWZCHRKL-UHFFFAOYSA-N InChI=1/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)Key: NUCLJNSWZCHRKL-UHFFFAOYAF
SMILES NC(=O)NC(NC(N)=O)C(O)=O O=C(NC(C(=O)O)NC(=O)N)N
Properties
Chemical formula	C₄H₈N₄O₄
Density	1.618 g/cm
Hazards
Flash point	219.4 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound