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

< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively ← Previous edit Next edit →Content deleted Content addedVisual WikitextInline

Revision as of 10:03, 20 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 468556698 of page Stigmatellin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit		Revision as of 10:11, 20 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 470946226 of page Suprofen for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'DrugBank', 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInChIK...Next edit →
Line 1:		Line 1:
	{{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 = ~~450635210~~
			\| Watchedfields = changed
	\|ImageFile=Stigmatellin.svg
		⚫	\| verifiedrevid = 470475028
⚫	\|~~ImageSize~~=250px
			\| IUPAC_name = (''RS'')-2-propanoic acid
	\|IUPACName=
			\| image = suprofen.png
	\|OtherNames=
		⚫	\| width = 250px
	\|Section1= {{Chembox Identifiers
			\| imagename = 1 : 1 mixture (racemate)
⚫	\| ~~CASNo~~ = <!-- blanked - oldvalue: ~~91682-96-1~~ -->
	\| ~~ChEMBL~~ = ~~486556~~		\| drug_name = Suprofen

⚫	\| PubChem=~~447884~~
			<!--Clinical data-->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|~~correct~~\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~394850~~		\| tradename =
			\| Drugs.com = {{drugs.com\|CONS\|suprofen}}
	\| SMILES = O=C\1c2c(O/C(=C/1C)CC(C)(OC)(C)(OC)\C=C\C=C\C(=C\C)C)c(O)c(OC)cc2OC
			\| pregnancy_category =
	\| InChI = 1/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1
			\| legal_status =
	\| InChIKey = UZHDGDDPOPDJGM-CVOZLMQJBZ
			\| routes_of_administration =
⚫	\| StdInChI_Ref = {{stdinchicite\|~~correct~~\|chemspider}}

	\| StdInChI = 1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1
			<!--Pharmacokinetic data-->
⚫	\| StdInChIKey_Ref = {{stdinchicite\|~~correct~~\|chemspider}}
			\| bioavailability =
⚫	\| StdInChIKey = ~~UZHDGDDPOPDJGM~~-~~CVOZLMQJSA~~-N
			\| protein_bound = 20%
	\| MeSHName=Stigmatellin
			\| metabolism =
	}}
			\| elimination_half-life =
	\|Section2= {{Chembox Properties
			\| excretion =
	\| Formula=C<sub>30</sub>H<sub>42</sub>O<sub>7</sub>

	\| MolarMass=514.65 g/mol
			<!--Identifiers-->
	\| Appearance=
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| Density=
			\| CAS_number_Ref = {{cascite\|changed\|??}}
	\| MeltingPt=
			\| CAS_number = 40828-46-4
	\| BoilingPt=
			\| ATC_prefix = M01
	\| Solubility=
			\| ATC_suffix = AE07
	}}
			\| ATC_supplemental =
	\|Section3= {{Chembox Hazards
		⚫	\| PubChem = 5359
	\| MainHazards=
			\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| FlashPt=
			\| DrugBank = DB00870
	\| Autoignition=
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|changed\|chemspider}}
	}}
			\| ChemSpiderID = 48481
			\| UNII_Ref = {{fdacite\|changed\|FDA}}
			\| UNII = 988GU2F9PE
			\| KEGG_Ref = {{keggcite\|changed\|kegg}}
			\| KEGG = D00452
			\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
		⚫	\| ChEBI = <!-- blanked - oldvalue: 9362 -->
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
			\| ChEMBL = <!-- blanked - oldvalue: 956 -->
			\| C=14 \| H=12 \| O=3 \| S=1
			\| molecular_weight = 260.309 g/mol
			\| smiles = O=C(c1ccc(cc1)C(C(=O)O)C)c2sccc2
			\| InChI = 1/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)
			\| InChIKey = MDKGKXOCJGEUJW-UHFFFAOYAP
		⚫	\| StdInChI_Ref = {{stdinchicite\|changed\|chemspider}}
			\| StdInChI = 1S/C22H22ClN5O4S2/c1-2-16(29)26-7-9-27(10-8-26)22(31)32-21-18-17(33-11-12-34-18)20(30)28(21)15-6-4-13-3-5-14(23)24-19(13)25-15/h3-6,21H,2,7-12H2,1H3
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
		⚫	\| StdInChIKey = IBAUKGNDWVSETP-UHFFFAOYSA-N
	}}		}}

Revision as of 10:11, 20 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 470946226 of page Suprofen with values updated to verified values.

Suprofen
Clinical data

AHFS/Drugs.com	Micromedex Detailed Consumer Information
ATC code	M01AE07 (WHO)
Pharmacokinetic data
Protein binding	20%
Identifiers
IUPAC name (RS)-2-propanoic acid
CAS Number	40828-46-4
PubChem CID	5359
DrugBank	DB00870
ChemSpider	48481
UNII	988GU2F9PE
KEGG	D00452
Chemical and physical data
Formula	C₁₄H₁₂O₃S
Molar mass	260.309 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES O=C(c1ccc(cc1)C(C(=O)O)C)c2sccc2
InChI InChI=1S/C22H22ClN5O4S2/c1-2-16(29)26-7-9-27(10-8-26)22(31)32-21-18-17(33-11-12-34-18)20(30)28(21)15-6-4-13-3-5-14(23)24-19(13)25-15/h3-6,21H,2,7-12H2,1H3 Key:IBAUKGNDWVSETP-UHFFFAOYSA-N
(what is this?) (verify)