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

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Revision as of 09:22, 21 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 461735601 of page Potassium_perchlorate for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit		Revision as of 09:23, 21 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 461733977 of page Ketorolac for the Chem/Drugbox validation project (updated: 'CAS_number').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.}}
	{{~~chembox~~		{{Drugbox
			\| Verifiedfields = changed
	\| verifiedrevid = 402558923
			\| Watchedfields = changed
	\| ImageFile = Potassium perchlorate.png
			\| verifiedrevid = 408570178
	\| ImageSize = 150px
			\| IUPAC_name = (±)-5-benzoyl-2,3-dihydro-<br />1<u>H</u>-pyrrolizine-1-carboxylic acid,<br />2-amino-2-(hydroxymethyl)-1,3-propanediol
	\| ImageFile1 = Potassium-perchlorate-unit-cell-3D-balls-perspective.png
			\| image = Ketorolac.png
	\| ImageSize1 = 180px
			\| width = 250px
	\| ImageFile2 = Potassium-perchlorate-xtal-3D-SF.png
			\| imagename = 1 : 1 mixture (racemate)
	\| ImageSize2 = 180px
			\| drug_name = Ketorolac
	\| ImageFile3 = Potassium perchlorate 200g.jpg

	\| Name = Potassium perchlorate
			<!--Clinical data-->
	\| OtherNames = Potassium chlorate(VII)<br /> Perchloric acid, potassium salt<br /> peroidin
			\| tradename = Acular, Toradol and acular
	\| Section1 = {{Chembox Identifiers
			\| Drugs.com = {{drugs.com\|monograph\|ketorolac-tromethamine}}
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~22913~~		\| MedlinePlus = a693001
			\| pregnancy_AU = C
	\| ChEMBL = <!-- blanked - oldvalue: 1200696 -->
			\| pregnancy_US = C
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| pregnancy_category =
	\| UNII = 42255P5X4D
			\| legal_US = Rx-only
	\| InChI = 1/ClHO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
			\| legal_status =
	\| InChIKey = YLMGFJXSLBMXHK-REWHXWOFAB
			\| routes_of_administration = Oral, ], ]
	\| SMILES = .Cl(=O)(=O)=O
			\| licence_US = Toradol
			\| DailyMedID = 9090

			<!--Pharmacokinetic data-->
			\| bioavailability = 100% (All routes)
			\| metabolism = ]
			\| elimination_half-life = 3.5-9.2 ]s, young adults;<br />4.7-8.6 hrs, elderly (mean age 72)
			\| excretion = ]:91.4% (mean)<br />]:6.1% (mean)

			<!--Identifiers-->
			\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| CAS_number = <!-- blanked - oldvalue: 74103-06-3 -->
			\| ATC_prefix = M01
			\| ATC_suffix = AB15
			\| PubChem = 3826
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank = DB00465
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID = 3694
			\| UNII_Ref = {{fdacite\|changed\|FDA}}
			\| UNII = YZI5105V0L
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| KEGG = D08104
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 469

			<!--Chemical data-->
			\| C=15 \| H=13 \| N=1 \| O=3
			\| molecular_weight = 255.27 g/mol
			\| smiles = O=C(c1ccc2n1CCC2C(=O)O)c3ccccc3
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~ClHO4.K~~/c2-1(3,4)5~~;/h~~(H,2,3,4,5)~~;/q;+1/p-1~~		\| StdInChI = 1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~YLMGFJXSLBMXHK~~-UHFFFAOYSA-M		\| StdInChIKey = OZWKMVRBQXNZKK-UHFFFAOYSA-N
	\| CASNo = 7778-74-7
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| PubChem = 516900
	\| EINECS = 231-912-9
	\| RTECS = SC9700000
	\| UNNumber = 1489
	}}
	\| Section2 = {{Chembox Properties
	\| Formula = KClO<sub>4</sub>
	\| MolarMass = 138.55 g/mol
	\| Appearance = Colourless/white crystalline powder
	\| Density = 2.5239 g/cm<sup>3</sup>
	\| Solubility = 0.75 g/100 mL (0 °C)<br /> 1.5 g/100 mL (25 °C)<ref name = jtbaker>{{cite web \| url = http://hazard.com/msds/mf/baker/baker/files/p5983.htm \| publisher = ] \| title = Potassium Perchlorate MSDS \| date = 2007-02-16 \| accessdate = 2007-12-10}}</ref><br /> 21.8 g/100 mL (100 °C)
	\| SolubleOther = negligible in ]<br /> insoluble in ]
	\| MeltingPt = 525 °C
	\| BoilingPt = 600 °C (decomp.)
	}}
	\| Section3 = {{Chembox Structure
	\| Coordination =
	\| CrystalStruct = rhombohedral
	}}
	\| Section7 = {{Chembox Hazards
	\| ExternalMSDS =
	\| EUClass = Oxidant ('''O''')<br />Harmful ('''Xn''')
	\| EUIndex = 017-008-00-5
	\| NFPA-H = 1
	\| NFPA-F = 0
	\| NFPA-R = 1
	\| NFPA-O = OX
	\| RPhrases = {{R9}}, {{R22}}
	\| SPhrases = {{S2}}, {{S13}}, {{S22}}, {{S27}}
	\| FlashPt =
	}}
	\| Section8 = {{Chembox Related
	\| OtherAnions = ]<br />]<br />]
	\| OtherCations = ]<br />]
	}}
	}}		}}

Revision as of 09:23, 21 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 461733977 of page Ketorolac with values updated to verified values.

Ketorolac
Clinical data

Trade names	Acular, Toradol and acular
AHFS/Drugs.com	Monograph
MedlinePlus	a693001
License data	US DailyMed: 9090 US FDA: Toradol
Pregnancy category	AU: C
Routes of administration	Oral, I.M., I.V.
ATC code	M01AB15 (WHO)
Legal status
Legal status	US: ℞-only
Pharmacokinetic data
Bioavailability	100% (All routes)
Metabolism	Hepatic
Elimination half-life	3.5-9.2 hrs, young adults; 4.7-8.6 hrs, elderly (mean age 72)
Excretion	Renal:91.4% (mean) Biliary:6.1% (mean)
Identifiers
IUPAC name (±)-5-benzoyl-2,3-dihydro- 1H-pyrrolizine-1-carboxylic acid, 2-amino-2-(hydroxymethyl)-1,3-propanediol
PubChem CID	3826
DrugBank	DB00465
ChemSpider	3694
UNII	YZI5105V0L
KEGG	D08104
ChEMBL	ChEMBL469
Chemical and physical data
Formula	C₁₅H₁₃NO₃
Molar mass	255.27 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES O=C(c1ccc2n1CCC2C(=O)O)c3ccccc3
InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) Key:OZWKMVRBQXNZKK-UHFFFAOYSA-N
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