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

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Revision as of 13:35, 15 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 472280549 of page Krypton_difluoride for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 13:36, 15 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 476965163 of page Gamma-Hydroxybutyric_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.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|drugbox}}) taken from revid of page ] with values updated to verified values.}}
			{{drugbox \| Verifiedfields = changed
	{{Chembox
	\| verifiedrevid = ~~437131613~~		\| verifiedrevid = 456352935
			\| IUPAC_name = 4-Hydroxybutanoic acid
	\| ImageFileL1 = Krypton-difluoride-2D-dimensions.png
			\| image = 4-Hydroxybutansäure - 4-Hydroxybutanoic acid.svg
⚫	\| ~~ImageFileL1_Ref~~ = {{~~chemboximage~~\|correct\|??}}
	\| ~~ImageSizeL1~~ = ~~121~~		\| width = 200
			\| image2 = GHB-3D-balls.png
	\| ImageNameL1 = Skeletal formula of krypton difluoride with a dimension
			\| imagename = γ-Hydroxybutyric acid
	\| ImageFileR1 = Krypton-difluoride-3D-vdW.png

	\| ImageFileR1_Ref = {{chemboximage\|correct\|??}}
			<!--Clinical data-->
	\| ImageSizeR1 = 121
			\| pregnancy_category = B
	\| ImageNameR1 = Spacefill model of krypton difluoride
			\| legal_AU = S9
	\| IUPACName = Krypton(II) fluoride
			\| legal_CA = Schedule III
	\| OtherNames = Krypton fluoride
			\| legal_UK = Class C
	\| Section1 = {{Chembox Identifiers
			\| legal_status = Class B (]), ] (US)
⚫	\| CASNo_Ref = {{cascite\|correct\|??}}
			\| routes_of_administration = Usually oral; ]
	\| CASNo = <!-- blanked - oldvalue: 13773-81-4 -->

⚫	\| PubChem = ~~83721~~
			<!--Pharmacokinetic data-->
	\| PubChem_Ref = {{Pubchemcite\|correct\|pubchem}}
			\| bioavailability = 25% (oral)
⚫	\| ChemSpiderID = ~~75543~~
			\| metabolism = 95%, mainly ], also in blood and tissues
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| elimination_half-life = 30–60 minutes
	\| SMILES = FF
			\| excretion = 5%, ]
	\| StdInChI = 1S/F2Kr/c1-3-2

			<!--Identifiers-->
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| CAS_number = 591-81-1
			\| ATC_prefix = N01
			\| ATC_suffix = AX11
			\| ATC_supplemental = {{ATC\|N07\|XX04}}
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 30830
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
	\| InChI = 1/F2Kr/c1-3-2
⚫	\| StdInChIKey = ~~QGOSZQZQVQAYFS~~-UHFFFAOYSA-N
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChIKey = SJZRECIVHVDYJC-UHFFFAOYSA-N
	\| InChIKey = QGOSZQZQVQAYFS-UHFFFAOYAJ
		⚫	\| PubChem = 3037032
	}}
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| Section2 = {{Chembox Properties
	\| F = 2		\| DrugBank = DB01440
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| Kr = 1
		⚫	\| ChemSpiderID = 9984
	\| ExactMass = 121.908313037 g mol<sup>−1</sup>
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| Appearance = Colourless crystals (solid)
			\| UNII = 30IW36W5B2
	\| Density = 3.24 g cm<sup>−3</sup> (solid)
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| Solubility = Reacts
			\| KEGG = C00989
	}}
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| Section3 = {{Chembox Structure
	\| ~~MolShape~~ = ~~Linear~~		\| ChEMBL = 1342

	\| CrystalStruct = Body-centered tetragonal<ref>{{cite journal\|journal=Science\|year=1972\|volume=178 \|issue=4067\|pages=1285–1286\|doi=10.1126/science.178.4067.1285\|title= Crystal Structure of Krypton Difluoride at −80°C\|author=R. D. Burbank, W. E. Falconer and W. A. Sunder\|pmid=17792123}}</ref>
			<!--Chemical data-->
	\| Dipole = 0 D
			\| C=4 \| H=8 \| O=3
	\| SpaceGroup = P4<sub>2</sub>/mnm, No. 136
			\| molecular_weight = 104.10 g/mol (GHB)<br>126.09 g/mol (sodium salt)<br>142.19 g/mol (potassium salt)
	\| LattConst_a = 0.4585 nm
			\| smiles = O=C(O)CCCO
	\| LattConst_c = 0.5827 nm
			\| InChI = 1/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
	}}
			\| synonyms = γ-Hydroxybutyric acid<br>γ-Hydroxybutyrate<br>GHB
	\| Section8 = {{Chembox Related
	\| OtherCpds = ]
	}}
	}}		}}

Revision as of 13:36, 15 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 476965163 of page Gamma-Hydroxybutyric_acid with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data


Other names	γ-Hydroxybutyric acid γ-Hydroxybutyrate GHB
Pregnancy category	B
Routes of administration	Usually oral; intravenous
ATC code	N01AX11 (WHO) N07XX04 (WHO)
Legal status
Legal status	AU: S9 (Prohibited substance) CA: Schedule III UK: Class C Class B ( NZ), Schedule I and III (US)
Pharmacokinetic data
Bioavailability	25% (oral)
Metabolism	95%, mainly Hepatic, also in blood and tissues
Elimination half-life	30–60 minutes
Excretion	5%, renal
Identifiers
IUPAC name 4-Hydroxybutanoic acid
CAS Number	591-81-1
PubChem CID	3037032
DrugBank	DB01440
ChemSpider	9984
UNII	30IW36W5B2
KEGG	C00989
ChEBI	CHEBI:30830
ChEMBL	ChEMBL1342
Chemical and physical data
Formula	C₄H₈O₃
Molar mass	104.10 g/mol (GHB) 126.09 g/mol (sodium salt) 142.19 g/mol (potassium salt) g·mol
3D model (JSmol)	Interactive image
SMILES O=C(O)CCCO
InChI InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7) Key:SJZRECIVHVDYJC-UHFFFAOYSA-N
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