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

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Revision as of 15:41, 17 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456836385 of page Glycopyrrolate for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEMBL').← Previous edit		Revision as of 15:42, 17 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456672327 of page Glycyrrhetinic_acid for the Chem/Drugbox validation project (updated: '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\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Drugbox~~		{{chembox
		⚫	\| verifiedrevid = 443848606
	\| Verifiedfields = changed
			\| ImageFile=Glycyrrhetinic acid structure.svg
	\| Watchedfields = changed
			\| ImageSize=200px
⚫	\| verifiedrevid = ~~402140591~~
			\| IUPACName= (2''S'',4a''S'',6a''S'',6b''R'',8a''R'',10''S'',12a''S'',12b''R'',14b''R'')-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
	\| IUPAC_name = 3-(2-cyclopentyl-2-hydroxy-2-phenylacetoxy)-1,1-dimethylpyrrolidinium
			\| IUPACName_hidden=yes
	\| image = Glycopyrrolate.svg
			\| OtherNames=Enoxolone; Glycyrrhetin; Uralenic acid; Glycyrrhetinate; Arthrodont; 3β-Hydroxy-11-oxoolean-12-en-30-olic acid

			\|Section1= {{Chembox Identifiers
	<!--Clinical data-->
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| tradename =
		⚫	\| ChemSpiderID = 9710
	\| Drugs.com = {{drugs.com\|monograph\|glycopyrrolate}}
			\| InChI = 1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
	\| MedlinePlus = a602014
			\| InChIKey = MPDGHEJMBKOTSU-YKLVYJNSBE
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| pregnancy_US = <!-- A / B / C / D / X -->
	\| pregnancy_category = B
	\| legal_AU = <!-- Unscheduled / S2 / S4 / S8 -->
	\| legal_UK = <!-- GSL / P / POM / CD -->
	\| legal_US = <!-- OTC / Rx-only -->
	\| routes_of_administration = oral, IV

	<!--Pharmacokinetic data-->
	\| elimination_half-life = 0.6–1.2 hours
	\| excretion = 85% renal, unknown amount in the bile

	<!--Identifiers-->
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
⚫	\| ~~CAS_number_Ref~~ = {{~~cascite~~\|correct\|??}}
	\| CAS_number = 596-51-0
	\| ATC_prefix = A03
	\| ATC_suffix = AB02
⚫	\| PubChem = ~~3494~~
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = DB00986
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~11201~~
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = V92SO9WP2I
	\| KEGG_Ref = {{keggcite\|changed\|kegg}}
	\| KEGG = D00540
	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| ChEMBL = <!-- blanked - oldvalue: 1201335 -->
	\| C=19 \| H=28 \| N=1 \| O=3 \| charge = +
	\| molecular_weight = 318.431 g/mol
	\| smiles = .O=C(OC1CC(C)(C)C1)C(O)(c2ccccc2)C3CCCC3
	\| InChI = 1/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
	\| InChIKey = VPNYRYCIDCJBOM-REWHXWOFAY
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C19H28NO3.BrH~~/c1-20(2)13-12-~~17(14~~-20)23~~-18~~(~~21)19~~(22,~~16-~~10-6-7-11-~~16)15~~-8-4-3-~~5-9~~-15;/h3-5,8-9,16-17,~~22H~~,6-7,10-~~14H2~~,1-~~2H3;1H/q~~+~~1;/p~~-1		\| StdInChI = 1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~VPNYRYCIDCJBOM~~-~~UHFFFAOYSA~~-M		\| StdInChIKey = MPDGHEJMBKOTSU-YKLVYJNSSA-N
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CASNo=471-53-4
			\| ChEMBL = 230006
		⚫	\| PubChem=10114
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 30853
			\| SMILES = O=C(O)5(C)C4/C3=C/C(=O)1(CC21(C)CC(O)C2(C)C)(C)3(C)CC4(C)CC5
			\| ATCCode_prefix = D03
			\| ATCCode_suffix = AX10
			}}
			\|Section2= {{Chembox Properties
			\| C=30\|H=46\|O=4
			\| Appearance=
			\| Density=
			\| MeltingPt=
			\| BoilingPt=
			\| Solubility=
			}}
			\|Section3= {{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
			\| Section5 = {{Chembox Pharmacology
			\| AdminRoutes =
			\| Bioavail =
			\| Metabolism =
			\| HalfLife =
			\| ProteinBound =
			\| Excretion =
			\| Legal_status =
			\| Legal_US =
			\| Legal_UK =
			\| Legal_AU =
			\| Legal_CA =
			\| PregCat =
			\| PregCat_AU =
			\| PregCat_US = }}
	}}		}}

Revision as of 15:42, 17 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 456672327 of page Glycyrrhetinic_acid with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Other names Enoxolone; Glycyrrhetin; Uralenic acid; Glycyrrhetinate; Arthrodont; 3β-Hydroxy-11-oxoolean-12-en-30-olic acid
Identifiers
CAS Number	471-53-4
3D model (JSmol)	Interactive image
ChEBI	CHEBI:30853
ChEMBL	ChEMBL230006
ChemSpider	9710
PubChem CID	10114
InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1Key: MPDGHEJMBKOTSU-YKLVYJNSSA-N InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1Key: MPDGHEJMBKOTSU-YKLVYJNSBE
SMILES O=C(O)5(C)C4/C3=C/C(=O)1(CC21(C)CC(O)C2(C)C)(C)3(C)CC4(C)CC5
Properties
Chemical formula	C₃₀H₄₆O₄
Molar mass	470.694 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound