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

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Revision as of 13:51, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{drugbox}} taken from revid 459118662 of page Selegiline for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit		Revision as of 13:52, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 453469673 of page Selenic_acid 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\|~~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 = 444100968
	\| Verifiedfields = changed
			\| Name Selenic acid
⚫	\| verifiedrevid = ~~457464942~~
		⚫	\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| IUPAC_name = (''R'')-''N''-methyl-''N''-(1-phenylpropan-2-yl)prop-1-yn-3-amine
	\| ~~image~~ = ~~Selegilin~~-~~Structural Formulae~~.png		\| ImageFile = Selenic-acid-2D.png
			<!-- \| ImageSize = 130px -->
	\| image2 = Selegiline-3D-balls.png
			\| ImageName = Selenic acid

			\| ImageFile1 = Selenic-acid-3D-vdW.png
	<!--Clinical data-->
			<!-- \| ImageSize1 = 130px -->
	\| tradename = Eldepryl
			\| ImageName1 = Selenic acid
	\| Drugs.com = {{drugs.com\|monograph\|selegiline-hydrochloride}}
			\| IUPACName = Selenic(VI) acid
	\| MedlinePlus = a697046
			\| OtherNames = Selenic acid
	\| pregnancy_category = C <small>(])</small>
			\| Section1 = {{Chembox Identifiers
	\| legal_status = prescription only (unscheduled) <small>(])</small>
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| routes_of_administration = Oral, ], ]
		⚫	\| ChEBI = 18170

			\| SMILES = O=(=O)(O)O
	<!--Pharmacokinetic data-->
		⚫	\| PubChem = 1089
	\| bioavailability = 4.4% (oral, fasted), 20% (oral, after food), 18% (patch)
	\| protein_bound = 90%
	\| metabolism = liver
	\| elimination_half-life = 1.5 hours (oral, single dose), 9 hours (oral, chronic)
	\| excretion = urine

	<!--Identifiers-->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
⚫	\| ~~CAS_number_Ref~~ = {{~~cascite~~\|correct\|??}}
	\| CAS_number = 14611-51-9
	\| CAS_supplemental = <small>(HCl)</small>
	\| ATC_prefix = N04
	\| ATC_suffix = BD01
	\| ATC_supplemental = {{ATCvet\|N06\|AX90}}
⚫	\| PubChem = ~~26757~~
	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| DrugBank = DB01037
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~24930~~
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = 2K1V7GP655
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = ~~D03731~~		\| KEGG = C05697
			\| InChI = 1/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)
⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| InChIKey = QYHFIVBSNOWOCQ-UHFFFAOYAI
⚫	\| ChEBI = ~~9086~~
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 972

	<!--Chemical data-->
	\| C=13 \| H=17 \| N=1
	\| molecular_weight = 187.281 g/mol
	\| smiles = C#CCN((Cc1ccccc1)C)C
	\| InChI = 1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
	\| InChIKey = MEZLKOACVSPNER-GFCCVEGCBI
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C13H17N~~/c1-~~4-10-14~~(3)12(~~2)11-13-8-6-5-7-9-13/h1~~,~~5-9~~,~~12H~~,~~10-11H2~~,~~2-3H3/t12-/m1/s1~~		\| StdInChI = 1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~MEZLKOACVSPNER~~-~~GFCCVEGCSA~~-N		\| StdInChIKey = QYHFIVBSNOWOCQ-UHFFFAOYSA-N
			\| CASNo = <!-- blanked - oldvalue: 7783-08-6 -->
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 1058
			\| RTECS = VS6575000
			}}
			\| Section2 = {{Chembox Properties
			\| Formula = {{chem\|H\|2\|SeO\|4}}
			\| MolarMass = 144.9734 g/mol
			\| Appearance = Colorless deliquescent crystals
			\| Density = 2.95 g/cm<sup>3</sup>, solid
			\| Solubility = 130 g/100 mL (30 °C)
			\| MeltingPt = 58 °C (331 K)
			\| BoilingPt = 260 °C (533 K) (decomposes)
			\| pKa = similar to {{chem\|H\|2\|SO\|4}}
			\| RefractIndex = 1.5174 (D-line, 20 °C)
			}}
			\| Section3 = {{Chembox Structure
			\| MolShape = tetrahedral at Se
			\| CrystalStruct =
			\| Dipole =
			}}
			\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =
			\| MainHazards = Corrosive, highly toxic
			\| NFPA-H = 3
			\| NFPA-R = 2 \| Other=OX
			\| NFPA-F = 0
			\| RPhrases = 23/25-33-50/53
			\| SPhrases = 20/21-28-45-60-61
			}}
			\| Section8 = {{Chembox Related
			\| OtherAnions = ] <br>]<br> ]
			\| OtherCations = ]
			\| OtherCpds = ]<br /> ]<br/>]<br />]
			}}
	}}		}}

Revision as of 13:52, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 453469673 of page Selenic_acid with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
Selenic acid
Selenic acid
IUPAC name Selenic(VI) acid
Other names Selenic acid
Identifiers
3D model (JSmol)	Interactive image
ChEBI	CHEBI:18170
ChemSpider	1058
KEGG	C05697
PubChem CID	1089
RTECS number	VS6575000
InChI InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)Key: QYHFIVBSNOWOCQ-UHFFFAOYSA-N InChI=1/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)Key: QYHFIVBSNOWOCQ-UHFFFAOYAI
SMILES O=(=O)(O)O
Properties
Chemical formula	H ₂SeO ₄
Molar mass	144.9734 g/mol
Appearance	Colorless deliquescent crystals
Density	2.95 g/cm, solid
Melting point	58 °C (331 K)
Boiling point	260 °C (533 K) (decomposes)
Solubility in water	130 g/100 mL (30 °C)
Acidity (pK_a)	similar to H ₂SO ₄
Refractive index (n_D)	1.5174 (D-line, 20 °C)
Structure
Molecular shape	tetrahedral at Se
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Corrosive, highly toxic
NFPA 704 (fire diamond)	3 0 2
Related compounds
Other anions	selenious acid hydroselenic acid hydrogen selenide
Other cations	sodium selenate
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