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

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Revision as of 19:46, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 473513948 of page Acemetacin for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit		Revision as of 19:46, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 466628188 of page Acenaphthene for the Chem/Drugbox validation project (updated: 'KEGG').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
	\| ~~Watchedfields~~ = changed		\| Verifiedfields = changed
	\| verifiedrevid = ~~443309694~~		\| verifiedrevid = 456662235
			\| ImageFileL1 = Acenaphthene.svg
	\| IUPAC_name = 2-acetyl]oxyacetic acid
			\| ImageSizeL1 = 120px
	\| image = acemetacin.svg
			\| ImageAltL1 = Skeletal formula

			\| ImageFileR1 = Acenaphthene-3D-balls.png
	<!--Clinical data-->
	\| ~~tradename~~ =		\| ImageSizeR1 = 120px
			\| ImageAltR1 = Ball-and-stick model
	\| Drugs.com = {{drugs.com\|international\|acemetacin}}
			\| IUPACName = 1,2-Dihydroacenaphthylene
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
			\| OtherNames = 1,8-Ethylenenaphthalene<br/>''peri''-Ethylenenaphthalene<br/>Naphthyleneethylene
	\| pregnancy_US = <!-- A / B / C / D / X -->
			\| Section1 = {{Chembox Identifiers
	\| pregnancy_category =
			\| InChIKey = CWRYPZZKDGJXCA-UHFFFAOYAW
	\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
			\| SMILES1 = c1cc2cccc3c2c(c1)CC3
	\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
	\| legal_UK = POM
	\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
	\| legal_status =
	\| routes_of_administration =

	<!--Pharmacokinetic data-->
	\| bioavailability =
	\| protein_bound =
	\| metabolism =
	\| elimination_half-life =
	\| excretion =

	<!--Identifiers-->
	\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| CAS_number = <!-- blanked - oldvalue: 53164-05-9 -->
	\| ATC_prefix = M01
	\| ATC_suffix = AB11
	\| PubChem = 1981
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank =
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 1904
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = 5V141XK28X
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = D01582
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 189171

	<!--Chemical data-->
	\| C=21 \| H=18 \| Cl=1 \| N=1 \| O=6
	\| molecular_weight = 415.82372 g/mol
	\| smiles = Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)OCC(=O)O
	\| InChI = 1/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
	\| InChIKey = FSQKKOOTNAMONP-UHFFFAOYAI
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C21H18ClNO6~~/c1-12-~~16(10~~-~~20(26)29~~-11-~~19(24)25)17~~-9-~~15(28~~-2)7-8-~~18(17~~)~~23(~~12~~)21~~(27)~~13-3-5-14(22)6-4-13~~/h3-9H,10-~~11H2,1-2H3,(H,24,25)~~		\| StdInChI = 1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~FSQKKOOTNAMONP~~-UHFFFAOYSA-N		\| StdInChIKey = CWRYPZZKDGJXCA-UHFFFAOYSA-N
			\| CASNo = 83-32-9
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| EINECS = 201-469-6
			\| PubChem = 6734
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = V8UT1GAC5Y
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 22154
			\| SMILES = c2cc1cccc3c1c(c2)CC3
			\| InChI = 1/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
			\| RTECS = AB1000000
			\| UNNumber = 3077
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID = 6478
			\| KEGG_Ref = {{keggcite\|changed\|kegg}}
			\| KEGG = <!-- blanked - oldvalue: C19312 -->
			}}
			\| Section2 = {{Chembox Properties
			\| C=12 \| H=10
			\| Appearance = White or pale yellow crystalline powder
			\| Density = 1.024 g/cm<sup>3</sup>
			\| MeltingPtC = 93.4
			\| BoilingPtC = 279
			\| Solubility = 0.4 mg/100 ml
			\| Solubility1 = slight
			\| Solvent1 = ethanol
			\| Solubility2 = slight
			\| Solvent2 = chloroform
			\| Solubility3 = very soluble
			\| Solvent3 = benzene
			\| Solubility4 = soluble
			\| Solvent4 = acetic acid
			\| Density = 1.222
			}}
			\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =
			\| EUIndex = Not listed
			\| NFPA-H = 2
			\| NFPA-F = 1
			\| NFPA-R = 1
			\| NFPA-O =
			\| RPhrases =
			\| SPhrases =
			\| FlashPt = 135 °C
			\| Autoignition = >450 °C
			}}
	}}		}}

Revision as of 19:46, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 466628188 of page Acenaphthene with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

Names

IUPAC name 1,2-Dihydroacenaphthylene

Other names 1,8-Ethylenenaphthalene
peri-Ethylenenaphthalene
Naphthyleneethylene

Identifiers

CAS Number

83-32-9

3D model (JSmol)

ChEBI

CHEBI:22154

ChemSpider

6478

EC Number

201-469-6

PubChem CID

6734

RTECS number

AB1000000

UNII

V8UT1GAC5Y

UN number

3077

InChI

InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2Key: CWRYPZZKDGJXCA-UHFFFAOYSA-N
InChI=1/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2Key: CWRYPZZKDGJXCA-UHFFFAOYAW

SMILES