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

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Revision as of 14:21, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 452131714 of page Simfibrate for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 14:21, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 458450369 of page Simvastatin 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\|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
	\| verifiedrevid = ~~447821664~~		\| verifiedrevid = 458449050
	\| IUPAC_name = propane-1,3-diyl bis
			\| IUPAC_name = (1''S'',3''R'',7''S'',8''S'',8a''R'')-8-{2-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
	\| image = simfibrate.png
			\| image = Simvastatin Structural Formulae.png
			\| width = 250
			\| image2 = Simvastatin_spacefill.png

	<!--Clinical data-->		<!--Clinical data-->
	\| tradename =		\| tradename = Zocor
			\| Drugs.com = {{drugs.com\|monograph\|simvastatin}}
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
			\| MedlinePlus = a692030
	\| pregnancy_US = <!-- A / B / C / D / X -->
			\| licence_US = Simvastatin
	\| pregnancy_category =
			\| pregnancy_AU = D
	\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
			\| pregnancy_US = X
	\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
			\| legal_AU = S4
	\| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
			\| legal_UK = P
	\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
	\| ~~legal_status~~ =		\| legal_US = Rx-only
	\| routes_of_administration =		\| routes_of_administration = Oral

	<!--Pharmacokinetic data-->		<!--Pharmacokinetic data-->
	\| bioavailability =		\| bioavailability = 5%
	\| protein_bound =		\| protein_bound = 95%
	\| metabolism =		\| metabolism = ] (])
	\| elimination_half-life =		\| elimination_half-life = 2 hours for simvastatin and 1.9 hours for simvastatin acid
	\| excretion =		\| excretion = ] 13%, ] 60%

	<!--Identifiers-->		<!--Identifiers-->
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
⚫	\| CAS_number =
			\| CAS_number_Ref = {{cascite\|correct\|??}}
		⚫	\| CAS_number = 79902-63-9
	\| ATC_prefix = C10		\| ATC_prefix = C10
	\| ATC_suffix = ~~AB06~~		\| ATC_suffix = AA01
	\| PubChem = ~~5217~~		\| PubChem = 54454
	\| DrugBank_Ref = {{drugbankcite\|~~correct~~\|drugbank}}		\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| DrugBank =		\| DrugBank = DB00641
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~5028~~		\| ChemSpiderID = 49179
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~L2R75RQX26~~		\| UNII = AGG2FN16EV
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = ~~D01212~~		\| KEGG = D00434
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 9150
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 1064

	<!--Chemical data-->		<!--Chemical data-->
	\| C=23 \| H=~~26 \| Cl=2~~ \| O=6		\| C=25 \| H=38 \| O=5
	\| molecular_weight = ~~469~~.~~354~~ g/mol		\| molecular_weight = 418.566 g/mol
	\| smiles = ~~Clc2ccc(OC~~(C(=O)~~OCCCOC~~(=O)C(~~Oc1ccc(Cl~~)~~cc1~~)(C)C)(C)C)~~cc2~~		\| smiles = O=C(O13C(=C/(C)C1)\C=C/(3CC2OC(=O)C(O)C2)C)C(C)(C)CC
	\| InChI = 1/~~C23H26Cl2O6~~/c1-22(2,30-18-10-~~6-16~~(24)7-11-18)20(26)28-14-5-15-29-21(27)~~23(3,4)31~~-19~~-12~~-8-~~17(25)~~9-13-19/h6-~~13H~~,5,14-~~15H2~~,1-~~4H3~~		\| InChI = 1/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
	\| InChIKey = ~~JLRNKCZRCMIVKA~~-~~UHFFFAOYAQ~~		\| InChIKey = RYMZZMVNJRMUDD-HGQWONQEBD
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C23H26Cl2O6~~/c1-22(2,30-18-10-~~6-16~~(24)7-11-18)20(26)28-14-5-15-29-21(27)~~23(3,4)31~~-19~~-12~~-8-~~17(25)~~9-13-19/h6-~~13H~~,5,14-~~15H2~~,1-~~4H3~~		\| StdInChI = 1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~JLRNKCZRCMIVKA~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = RYMZZMVNJRMUDD-HGQWONQESA-N
	\| synonyms = <small>3-{oxy}propyl 2-(4-chlorophenoxy)-2-methylpropanoate</small>
	}}		}}

Revision as of 14:21, 6 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 458450369 of page Simvastatin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

File:Simvastatin spacefill.png
Trade names	Zocor
AHFS/Drugs.com	Monograph
MedlinePlus	a692030
License data	US FDA: Simvastatin
Pregnancy category	AU: D
Routes of administration	Oral
ATC code	C10AA01 (WHO)
Legal status
Legal status	AU: S4 (Prescription only) UK: P (Pharmacy medicines) US: ℞-only
Pharmacokinetic data
Bioavailability	5%
Protein binding	95%
Metabolism	Hepatic (CYP3A4)
Elimination half-life	2 hours for simvastatin and 1.9 hours for simvastatin acid
Excretion	Renal 13%, faecal 60%
Identifiers
IUPAC name (1S,3R,7S,8S,8aR)-8-{2-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
CAS Number	79902-63-9
PubChem CID	54454
DrugBank	DB00641
ChemSpider	49179
UNII	AGG2FN16EV
KEGG	D00434
ChEBI	CHEBI:9150
ChEMBL	ChEMBL1064
Chemical and physical data
Formula	C₂₅H₃₈O₅
Molar mass	418.566 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES O=C(O13C(=C/(C)C1)\C=C/(3CC2OC(=O)C(O)C2)C)C(C)(C)CC
InChI InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 Key:RYMZZMVNJRMUDD-HGQWONQESA-N
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