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

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Revision as of 09:32, 20 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,044 edits Saving copy of the {{drugbox}} taken from revid 451605616 of page SRT2183 for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit		Revision as of 09:36, 20 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,044 edits Saving copy of the {{chembox}} taken from revid 449644957 of page Santin_(flavonol) for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').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 = 448820626
	\| Watchedfields = changed
			\| Name = Santin
⚫	\| verifiedrevid = ~~451167855~~
			\| ImageFile = santin.PNG
	\| IUPAC_name = N-methyl}imidazothiazol-6-yl)phenyl]naphthalene-2-carboxamide
			\| ImageSize = 200px
	\| image = SRT2183 skeletal.svg
			\| ImageName = Chemical structure of santin

			\| IUPACName = 5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
	<!--Clinical data-->
			\| OtherNames = 5,7-Dihydroxy-3,6,4'-trimethoxyflavone
	\| tradename =
			\|Section1= {{Chembox Identifiers
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| ~~pregnancy_US~~ = <!-- A / B ~~/ C / D / X~~ -->		\| CASNo = <!-- blanked - oldvalue: 27782-63-4 -->
	\| ~~pregnancy_category~~ =		\| CASNo_Ref =
			\| CASOther =
	\| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
			\| ChEMBL = 161957
	\| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
			\| PubChem = 5281695
	\| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
			\| SMILES = COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC
	\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| legal_status = Investigational
		⚫	\| ChemSpiderID = 4445012
	\| routes_of_administration =
			\| InChI = 1/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3

			\| InChIKey = DWZAJFZEYZIHPO-UHFFFAOYAB
	<!--Pharmacokinetic data-->
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| bioavailability =
			\| StdInChI = 1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
	\| protein_bound =
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| metabolism =
		⚫	\| StdInChIKey = DWZAJFZEYZIHPO-UHFFFAOYSA-N
	\| elimination_half-life =
	\| ~~excretion~~ =		\| MeSHName =
			}}

			\|Section2= {{Chembox Properties
	<!--Identifiers-->
			\| Formula = C<sub>18</sub>H<sub>16</sub>O<sub>7</sub>
	\| CAS_number =
			\| MolarMass = 344.31 g/mol
	\| ATC_prefix = None
	\| ~~ATC_suffix~~ =		\| ExactMass = 344.089603 u
	\| ~~ChEMBL~~ = ~~403308~~		\| Appearance =
	\| ~~PubChem~~ = ~~24180126~~		\| Density =
			\| MeltingPt = <!-- °C -->
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| ~~DrugBank~~ =		\| BoilingPt = <!-- °C -->
			\| Solubility =
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			}}
⚫	\| ChemSpiderID = ~~23315224~~

	<!--Chemical data-->
	\| C=27 \| H=24 \| N=4 \| O=2 \| S=1
	\| molecular_weight = 468.570 g/mol
	\| smiles = c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3c4cn5c(csc5n4)CN6CC(C6)O
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/C27H24N4O2S/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33)/t22-/m1/s1
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| StdInChIKey = ~~MUFSINOSQBMSLE~~-~~JOCHJYFZSA~~-N
	}}		}}

Revision as of 09:36, 20 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 449644957 of page Santin_(flavonol) with values updated to verified values.

Santin
Names
Chemical structure of santin
IUPAC name 5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Other names 5,7-Dihydroxy-3,6,4'-trimethoxyflavone
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL161957
ChemSpider	4445012
PubChem CID	5281695
InChI InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3Key: DWZAJFZEYZIHPO-UHFFFAOYSA-N InChI=1/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3Key: DWZAJFZEYZIHPO-UHFFFAOYAB
SMILES COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)OC)O)OC
Properties
Chemical formula	C₁₈H₁₆O₇
Molar mass	344.31 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