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

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Revision as of 13:06, 5 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 462917721 of page Pilocarpine for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit		Revision as of 13:07, 5 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 462317714 of page Pimecrolimus for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEMBL').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\|drugbox}}) taken from revid of page ] with values updated to verified values.}}
	{{Drugbox		{{Drugbox
	\| Verifiedfields = changed		\| Verifiedfields = changed
			\| Watchedfields = changed
	\| verifiedrevid = ~~412575930~~		\| verifiedrevid = 400852801
	\| IUPAC_name = (3''S'',4''R'')- 3-ethyl- 4-((1-methyl- 1''H''-imidazol- 5-yl) methyl)dihydrofuran- 2(3''H'')-one
			\| IUPAC_name = (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)<br>
	\| image = Pilocarpine Structural Formulae.png
			\| image = Pimecrolimus.svg
			\| width = 250
			\| image2 =

	<!--Clinical data-->		<!--Clinical data-->
	\| tradename = ~~Salagen~~		\| tradename = Elidel
	\| Drugs.com = {{drugs.com\|monograph\|~~pilocarpine~~}}		\| Drugs.com = {{drugs.com\|monograph\|pimecrolimus}}
	\| ~~MedlinePlus~~ = ~~a608039~~		\| pregnancy_US = C
	\| pregnancy_category = C
	\| legal_US = Rx-only		\| legal_US = Rx-only
	\| routes_of_administration = ~~], ]~~		\| routes_of_administration = topical

	<!--Pharmacokinetic data-->		<!--Pharmacokinetic data-->
	\| bioavailability =		\| bioavailability = low systemic absorption
	\| protein_bound =		\| protein_bound = 74%–87%
	\| metabolism =		\| metabolism = Hepatic ]
	\| elimination_half-life = ~~{{Reference~~ ~~necessary\|1=0.76 hours (5 mg), 1.35 hours (10 mg)\|date=April 2011}}~~		\| elimination_half-life =
	\| excretion = ~~urine~~		\| excretion =

	<!--Identifiers-->		<!--Identifiers-->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number_Ref = {{cascite\|correct\|??}}		\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| CAS_number = 92-13-7		\| CAS_number = 137071-32-0
			\| ATC_prefix = D11
	\| CAS_supplemental = <br/>54-71-7 (hydrochloride) <!-- Also CAS verified -->
	\| ~~ATC_prefix~~ = ~~N07~~		\| ATC_suffix = AH02
	\| ~~ATC_suffix~~ = ~~AX01~~		\| PubChem = 16051947
	\| ATC_supplemental = {{ATC\|S01\|EB01}}
	\| PubChem = 5910
	\| IUPHAR_ligand = 305
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}		\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = ~~DB01085~~		\| DrugBank = DB00337
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~5699~~		\| ChemSpiderID = 10482089
	\| UNII_Ref = {{fdacite\|~~correct~~\|FDA}}		\| UNII_Ref = {{fdacite\|changed\|FDA}}
	\| UNII = ~~01MI4Q9DI3~~		\| UNII = 7KYV510875
	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|~~correct~~\|~~kegg~~}}		\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
			\| ChEMBL = <!-- blanked - oldvalue: 1200686 -->
	\| KEGG = D00525
		⚫	\| C=43 \| H=68 \| Cl=1 \| N=1 \| O=11
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
		⚫	\| molecular_weight = 810.453 g/mol
	\| ChEBI = 8207
			\| smiles = Cl1CC(C1OC)\C=C(/C)2OC(=O)4CCCCN4C(=O)C(=O)3(O)O((C(C)CC(\C)=C\(CC)C(=O)C(O)2C)OC)(OC)C3C
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| InChI = 1/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31+,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1
	\| ChEMBL = 550
			\| InChIKey = KASDHRXLYQOAKZ-ZPSXYTITBN

	<!--Chemical data-->
⚫	\| C=11 \| H=16 \| N=2 \| O=2
⚫	\| molecular_weight = ~~208~~.~~257~~ g/mol
	\| smiles = O=C2OC(Cc1n(cnc1)C)2CC
	\| InChI = 1/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
	\| InChIKey = QCHFTSOMWOSFHM-WPRPVWTQBQ
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31+,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1
	\| StdInChI = 1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~QCHFTSOMWOSFHM~~-~~WPRPVWTQSA~~-N		\| StdInChIKey = KASDHRXLYQOAKZ-ZPSXYTITSA-N
	}}		}}

Revision as of 13:07, 5 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 462317714 of page Pimecrolimus with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

Trade names	Elidel
AHFS/Drugs.com	Monograph
Routes of administration	topical
ATC code	D11AH02 (WHO)
Legal status
Legal status	US: ℞-only
Pharmacokinetic data
Bioavailability	low systemic absorption
Protein binding	74%–87%
Metabolism	Hepatic CYP3A
Identifiers
IUPAC name (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)
CAS Number	137071-32-0
PubChem CID	16051947
DrugBank	DB00337
ChemSpider	10482089
UNII	7KYV510875
Chemical and physical data
Formula	C₄₃H₆₈ClNO₁₁
Molar mass	810.453 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES Cl1CC(C1OC)\C=C(/C)2OC(=O)4CCCCN4C(=O)C(=O)3(O)O((C(C)CC(\C)=C\(CC)C(=O)C(O)2C)OC)(OC)C3C
InChI InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31+,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1 Key:KASDHRXLYQOAKZ-ZPSXYTITSA-N
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