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

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Revision as of 12:35, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 448433355 of page Tetracyanoethylene for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 12:35, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 470453597 of page Tetracycline 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 = ~~402683670~~		\| verifiedrevid = 440724261
			\| IUPAC_name = (4''S'',6''S'',12a''S'')-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide <br />OR<br />(4''S'',6''S'',12a''S'')-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
	\| Name = Tetracyanoethylene
			\| image = Tetracycline structure.svg
	\| ImageFileL1 =Tetracyanoethylene.png

	\| ImageSizeL1 = 100px
			<!--Clinical data-->
	\| ImageName =
			\| tradename = Sumycin
	\| ImageFileR1 = TCNE3D.png
			\| Drugs.com = {{drugs.com\|monograph\|tetracycline}}
	\| ImageSizeR1 = 150px
			\| MedlinePlus = a682098
	\| ImageNameR1 = tetracyanoethylene
			\| licence_US = Tetracycline
	\| IUPACName = tetracyanoethene
	\| ~~OtherNames~~ = ~~TCNE~~		\| pregnancy_AU = D
			\| pregnancy_US = D
	\| Section1 = {{Chembox Identifiers
			\| legal_status = Rx-only
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| routes_of_administration = oral, ] (skin & eye), ], ]
⚫	\| ChemSpiderID = ~~12114~~

⚫	\| PubChem = ~~12635~~
			<!--Pharmacokinetic data-->
	\| InChI = 1/C6N4/c7-1-5(2-8)6(3-9)4-10
			\| bioavailability = 60-80% Oral, while fasting<br><40% Intramuscular
	\| InChIKey = NLDYACGHTUPAQU-UHFFFAOYAN
			\| metabolism = Not metabolised
			\| elimination_half-life = 6-11 hours
			\| excretion = ] and ]

			<!--Identifiers-->
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| CAS_number = 60-54-8
			\| CAS_supplemental = <br/>{{CAS\|64-75-5}} (hydrochloride) <!-- Also CAS verified -->
			\| ATC_prefix = A01
			\| ATC_suffix = AB13
			\| ATC_supplemental = {{ATC\|D06\|AA04}} {{ATC\|J01\|AA07}} {{ATC\|S01\|AA09}} {{ATC\|S02\|AA08}} {{ATC\|S03\|AA02}} {{ATCvet\|G01\|AA90}} {{ATCvet\|G51\|AA02}} {{ATCvet\|J51\|AA07}}
			\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
			\| ChEBI = 27902
		⚫	\| PubChem = 643969
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank = DB00759
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 10257122
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = F8VB5M810T
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| KEGG = D00201
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 1440

			<!--Chemical data-->
			\| C=22 \| H=24 \| N=2 \| O=8
			\| molecular_weight = 444.435 g/mol
			\| smiles = C1(c2cccc(c2C(=O)C3=C(4((C31)(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O
			\| InChI = 1/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1
	\| StdInChI = 1S/C6N4/c7-1-5(2-8)6(3-9)4-10
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~NLDYACGHTUPAQU~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = OFVLGDICTFRJMM-WESIUVDSSA-N
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = 670-54-2
	\| SMILES = C(#N)C(=C(C#N)C#N)C#N
	}}
	\| Section2 = {{Chembox Properties
	\| Formula = C<sub>6</sub>N<sub>4</sub>
	\| MolarMass = 128.09 g/mol
	\| Density = g/cm<sup>3</sup>
	\| MeltingPt = 199 °C
	\| BoilingPt = 130-140 °C, 0.1 mm Hg (])<ref name=Carboni>{{OrgSynth \| author = Carboni, R. A. \| title = Tetracyanoethylene \| collvol = 4 \| collvolpages = 877 \| year = 1963 \| prep = cv4p0877}}</ref>
	}}
	}}		}}

Revision as of 12:35, 10 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 470453597 of page Tetracycline with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

Trade names	Sumycin
AHFS/Drugs.com	Monograph
MedlinePlus	a682098
License data	US FDA: Tetracycline
Pregnancy category	AU: D
Routes of administration	oral, topical (skin & eye), im, iv
ATC code	A01AB13 (WHO) D06AA04 (WHO) J01AA07 (WHO) S01AA09 (WHO) S02AA08 (WHO) S03AA02 (WHO) QG01AA90 (WHO) QG51AA02 (WHO) QJ51AA07 (WHO)
Legal status
Legal status	In general: ℞ (Prescription only)
Pharmacokinetic data
Bioavailability	60-80% Oral, while fasting <40% Intramuscular
Metabolism	Not metabolised
Elimination half-life	6-11 hours
Excretion	Fecal and Renal
Identifiers
IUPAC name (4S,6S,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide OR (4S,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
CAS Number	60-54-8 64-75-5 (hydrochloride)
PubChem CID	643969
DrugBank	DB00759
ChemSpider	10257122
UNII	F8VB5M810T
KEGG	D00201
ChEBI	CHEBI:27902
ChEMBL	ChEMBL1440
Chemical and physical data
Formula	C₂₂H₂₄N₂O₈
Molar mass	444.435 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES C1(c2cccc(c2C(=O)C3=C(4((C31)(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O
InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 Key:OFVLGDICTFRJMM-WESIUVDSSA-N
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