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

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Revision as of 13:53, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{chembox}} taken from revid 459161063 of page Triacsin_C for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 13:54, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{drugbox}} taken from revid 470360189 of page Triamcinolone for the Chem/Drugbox validation project (updated: 'DrugBank').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
	\| verifiedrevid = ~~443608592~~		\| verifiedrevid = 441619956
			\| IUPAC_name = (11β,16α)-9-fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
	\| ImageFile1 = Triacsin_c.png
			\| image = Triamcinolone structure.png
	\| ImageSize1 = 250px

	\| IUPACName = ''N''-(((2''E'',4''E'',7''E'')-undeca-2,4,7-trienylidene)amino)nitrous amide
			<!--Clinical data-->
	\| Section1 = {{Chembox Identifiers
			\| tradename = Kenalog
	\| InChI = 1/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)/b5-4+,8-7+,10-9+,12-11+
			\| Drugs.com = {{drugs.com\|monograph\|triamcinolone}}
	\| InChIKey = NKTGCVUIESDXPU-YLEPRARLBF
			\| pregnancy_AU = A
			\| pregnancy_US = C
			\| legal_UK = POM
			\| legal_US = Rx-only
			\| routes_of_administration = Oral, topical, ], intra-articular, intrasynovial

			<!--Pharmacokinetic data-->
			\| bioavailability =
			\| protein_bound = 68%
			\| metabolism = ]
			\| elimination_half-life = 88 minutes
			\| excretion = Fecal and ]

			<!--Identifiers-->
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CAS_number = 124-94-7
			\| ATC_prefix = A01
			\| ATC_suffix = AC01
			\| ATC_supplemental = {{ATC\|C05\|AA12}}, {{ATC\|D07\|AB09}}, {{ATC\|D07\|XB02}}, {{ATC\|H02\|AB08}}, {{ATC\|R01\|AD11}}, {{ATC\|R03\|BA06}}, {{ATC\|S01\|BA05}}
		⚫	\| PubChem = 31307
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank = DB00620
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 29046
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = 1ZK20VI6TY
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| KEGG = D00385
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 1451

			<!--Chemical data-->
			\| C=21 \| H=27 \| F=1 \| O=6
			\| molecular_weight = 394.434 g/mol
			\| smiles = O=C(CO)3(O)2(C(O)4(F)/1(\C(=C/C(=O)\C=C\1)CC42C3O)C)C
			\| InChI = 1/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
			\| InChIKey = GFNANZIMVAIWHM-OBYCQNJPBA
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C11H17N3O~~/c1-2-~~3-4~~-5-6-7~~-8-9-10~~-11-12-13-14-~~15/h4~~-5,7-~~11H~~,2-~~3,6H2,1H3,~~(H,13,15)/b5-4+,8-7+,10-9+,12-11+		\| StdInChI = 1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~NKTGCVUIESDXPU~~-~~YLEPRARLSA~~-N		\| StdInChIKey = GFNANZIMVAIWHM-OBYCQNJPSA-N
			\| synonyms = {{hidden\|Click ''show'' to see\|<small>(8''S'',9''R'',10''S'',11''S'',13''S'',14''S'',16''R'',17''S'')-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3''H''-cyclopentaphenanthren-3-one; (1''R'',2''S'',10''S'',11''S'',13''R'',14''S'',15''S'',17''S'')-1-fluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracycloheptadeca-3,6-dien-5-one</small>}}
⚫	\| CASNo_Ref = {{cascite\|correct\|??}}
	\| CASNo = <!-- blanked - oldvalue: 76896-80-5 -->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~7851228~~
⚫	\| PubChem = ~~9576787~~
	\| SMILES = O=NN/N=C/C=C/C=C/C/C=C/CCC
	}}
	\| Section2 = {{Chembox Properties
	\| Formula = C<sub>11</sub>H<sub>17</sub>N<sub>3</sub>O
	\| MolarMass = 207.137 g/mol
	\| Appearance =
	\| Density =
	\| MeltingPt =
	\| BoilingPt =
	\| Solubility =
	}}
	}}		}}

Revision as of 13:54, 10 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 470360189 of page Triamcinolone with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

Trade names	Kenalog
Other names	Click show to see (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopentaphenanthren-3-one; (1R,2S,10S,11S,13R,14S,15S,17S)-1-fluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracycloheptadeca-3,6-dien-5-one
AHFS/Drugs.com	Monograph
Pregnancy category	AU: A
Routes of administration	Oral, topical, IM, intra-articular, intrasynovial
ATC code	A01AC01 (WHO) C05AA12 (WHO), D07AB09 (WHO), D07XB02 (WHO), H02AB08 (WHO), R01AD11 (WHO), R03BA06 (WHO), S01BA05 (WHO)
Legal status
Legal status	UK: POM (Prescription only) US: ℞-only
Pharmacokinetic data
Protein binding	68%
Metabolism	Hepatic
Elimination half-life	88 minutes
Excretion	Fecal and renal
Identifiers
IUPAC name (11β,16α)-9-fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
CAS Number	124-94-7
PubChem CID	31307
DrugBank	DB00620
ChemSpider	29046
UNII	1ZK20VI6TY
KEGG	D00385
ChEMBL	ChEMBL1451
Chemical and physical data
Formula	C₂₁H₂₇FO₆
Molar mass	394.434 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES O=C(CO)3(O)2(C(O)4(F)/1(\C(=C/C(=O)\C=C\1)CC42C3O)C)C
InChI InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1 Key:GFNANZIMVAIWHM-OBYCQNJPSA-N
(verify)