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

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Revision as of 20:02, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 457804281 of page Acridine_yellow for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInChIKey', 'CASNo').← Previous edit		Revision as of 20:02, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 467346828 of page Acridone for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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	{{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\|chembox}}) taken from revid of page ] with values updated to verified values.}}
			{{chembox
	{{Chembox
		⚫	\| verifiedrevid = 443367940
	\| Verifiedfields = changed
		⚫	\|ImageFile=acridone.png
⚫	\| verifiedrevid = ~~457803194~~
			\|ImageSize=
⚫	\| ImageFile = ~~Acridine yellow~~.png
	\| IUPACName = ~~2,7~~-~~Dimethylacridine~~-~~3,6~~-~~diamine~~		\|IUPACName=10H-acridin-9-one
	\| OtherNames = ~~2,7-Dimethylproflavine<br />~~		\|OtherNames=
		⚫	\|Section1={{Chembox Identifiers
	Acridine yellow G<br />
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	Acridine yellow H107<br />
		⚫	\| ChemSpiderID = 10188539
	Basic Yellow K
			\| InChI = 1/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)
⚫	\| Section1 = {{Chembox Identifiers
			\| InChIKey = FZEYVTFCMJSGMP-UHFFFAOYAI
⚫	\| ChEMBL_Ref = {{ebicite\|~~changed~~\|EBI}}
			\| SMILES1 = O=C1c3ccccc3Nc2ccccc12
⚫	\| ~~ChEMBL~~ = <!-- blanked - oldvalue: ~~329221~~ -->
		⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| StdInChI1 = 1/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H
			\| ChEMBL = 436589
	\| StdInChIKey1 = BGLGAKMTYHWWKW-UHFFFAOYAJ
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| SMILES1 = Cl.n1c3c(cc2c1cc(N)c(c2)C)cc(c(c3)N)C
	\| ~~InChI~~ = 1S/~~C15H15N3.ClH~~/c1-8-~~3-10~~-5-11-4-~~9(2)13(17)~~7-~~15(~~11)18-~~14(10)~~6-12(8)~~16;~~/h3-7H,~~16-17H2~~,~~1-2H3;1H~~		\| StdInChI = 1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| ~~InChIKey~~ = ~~BGLGAKMTYHWWKW~~-UHFFFAOYSA-N		\| StdInChIKey = FZEYVTFCMJSGMP-UHFFFAOYSA-N
	\| InChI1 = 1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H
		⚫	\| CASNo_Ref = {{cascite\|correct\|??}}
	\| InChIKey1 = BGLGAKMTYHWWKW-UHFFFAOYSA-N
		⚫	\| CASNo = <!-- blanked - oldvalue: 578-95-0 -->
⚫	\| CASNo_Ref = {{cascite\|~~changed~~\|??}}
		⚫	\| PubChem=2015
	\| CASNo = <!-- blanked - oldvalue: 92-26-2 -->
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
⚫	\| PubChem = ~~8672~~
		⚫	\| ChEBI = 50756
	\| PubChem_Ref = {{Pubchemcite}}
			\| SMILES=C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2
⚫	\| ChemSpiderID = ~~8348~~
		⚫	}}
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\|Section2={{Chembox Properties
	\| EINECS = 202-141-5
			\| C=13 \| H = 9 \| N = 1 \| O = 1
	\| MeSHName = Acridine+yellow
			\| Appearance=
⚫	\| ChEBI_Ref = {{ebicite\|~~changed~~\|EBI}}
		⚫	\| Density=
⚫	\| ChEBI = ~~51742~~
		⚫	\| MeltingPt=
	\| RTECS = AR8790000
		⚫	\| BoilingPt=
	\| SMILES = CC1=CC2=CC3=C(C=C(N)C(C)=C3)N=C2C=C1N
		⚫	\| Solubility=
⚫	\| StdInChI_Ref = {{stdinchicite\|~~changed~~\|chemspider}}
			}}
	\| StdInChI = 1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H
		⚫	\|Section3={{Chembox Hazards
⚫	\| StdInChIKey_Ref = {{stdinchicite\|~~changed~~\|chemspider}}
		⚫	\| MainHazards=
	\| StdInChIKey = BGLGAKMTYHWWKW-UHFFFAOYSA-N
		⚫	\| FlashPt=
	\| Beilstein = 5-22-11-00340}}
		⚫	\| Autoignition=
⚫	\| Section2={{Chembox Properties\|
			}}
	\| Formula = C<sub>15</sub>H<sub>15</sub>N<sub>3</sub>
	\| MolarMass = 273.30 g/mol
	\| Appearance = Brown/red crystals
⚫	\| Density =
⚫	\| Solubility =
⚫	\| MeltingPt =
⚫	\| BoilingPt =
	\| pKa =
	\| pKb =
	\| IsoelectricPt =
	\| DeltaHf =
	\| DeltaHc =
⚫	}}
⚫	\| ~~Section7~~ = {{Chembox Hazards
	\| EUClass = Harmful (XN)
⚫	\| MainHazards =
	\| NFPA-H = 2
	\| NFPA-F = 1
	\| NFPA-R = 0
	\| RPhrases = {{R20/21/22}}, {{R36/37/38}}, {{R68}}
	\| SPhrases = {{S26}}, {{S36/37/39}}
	\| RSPhrases = R:{{R1}}, {{R2}}<br/>S:{{S1}}, {{S2}}
⚫	\| FlashPt =
⚫	\| Autoignition =
	\| ExploLimits =
	\| PEL =}}
	}}		}}

Revision as of 20:02, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 467346828 of page Acridone with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 10H-acridin-9-one
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChEBI	CHEBI:50756
ChEMBL	ChEMBL436589
ChemSpider	10188539
PubChem CID	2015
InChI InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)Key: FZEYVTFCMJSGMP-UHFFFAOYSA-N InChI=1/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)Key: FZEYVTFCMJSGMP-UHFFFAOYAI
SMILES C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2 O=C1c3ccccc3Nc2ccccc12
Properties
Chemical formula	C₁₃H₉NO
Molar mass	195.221 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

Chemical compound