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

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Revision as of 17:12, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 456499890 of page 2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit		Revision as of 17:12, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 413109213 of page 2-Aminoacridine 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 = 413107851
	\| Verifiedfields = changed
			\|ImageFile=2-aminoacridine.png
⚫	\| verifiedrevid = ~~456498911~~
		⚫	\|ImageSize=
	\| ImageFile = Pteridine diphosphate.svg
			\|IUPACName=acridin-2-amine
	\| ImageFile_Ref = {{chemboximage\|correct\|??}}
			\|OtherNames=
⚫	\| ImageSize = ~~244~~
		⚫	\|Section1={{Chembox Identifiers
	\| ImageName = Skeletal formula of 2-amino-4-hydroxy-6-pyrophosphoryl-methylpteridine
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| IUPACName = (2-Amino-4-oxo-7,8-dihydro-1''H''-pteridin-6-yl)methyl phosphono hydrogen phosphate
		⚫	\| ChemSpiderID = 10906
	\| OtherNames = Pteridine diphosphate
			\| InChI = 1/C13H10N2/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)15-13/h1-8H,14H2
⚫	\| Section1={{Chembox Identifiers
			\| InChIKey = UTXPWBKKZFLMPZ-UHFFFAOYAK
⚫	\| CASNo = <!-- blanked - oldvalue: ~~3545~~-84-4 -->
			\| SMILES1 = n1c3c(cc2c1cccc2)cc(cc3)N
	\| CASNo_Ref = {{cascite\|changed\|??}}
		⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| PubChem = ~~666~~
			\| ChEMBL = 146566
	\| PubChem_Ref = {{Pubchemcite\|correct\|PubChem}}
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~646~~
			\| StdInChI = 1S/C13H10N2/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)15-13/h1-8H,14H2
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| KEGG = C04807
		⚫	\| StdInChIKey = UTXPWBKKZFLMPZ-UHFFFAOYSA-N
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
		⚫	\| CASNo = <!-- blanked - oldvalue: 581-28-2 -->
	\| MeSHName = 2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine
		⚫	\| PubChem=11384
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| SMILES=C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)N
	\| ChEBI = 15998
		⚫	}}
	\| ChEMBL = <!-- blanked - oldvalue: 1229984 -->
		⚫	\|Section2={{Chembox Properties
⚫	\| ChEMBL_Ref = {{ebicite\|~~changed~~\|EBI}}
			\| Formula=C<sub>13</sub>H<sub>10</sub>N<sub>2</sub>
	\| Beilstein = 8397629
			\| MolarMass=194.23 g/mol
	\| 3DMet = B01792
			\| Appearance=
	\| SMILES = NC1=NC(=O)C2=C(NCC(COP(O)(=O)OP(O)(O)=O)=N2)N1
			\| Density=
	\| SMILES1 = C1C(=NC2=C(N1)NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O
			\| MeltingPt=
	\| SMILES2 = O=P(O)(O)OP(=O)(O)OCC/1=N/C=2C(=O)\N=C(/NC=2NC\1)N
			\| BoilingPt=
	\| StdInChI = 1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)
			\| Solubility=
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	}}
	\| InChI = 1/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)
			\|Section3={{Chembox Hazards
⚫	\| StdInChIKey = ~~FCQGJGLSOWZZON~~-UHFFFAOYSA-N
			\| MainHazards=
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			\| FlashPt=
	\| InChIKey = FCQGJGLSOWZZON-UHFFFAOYAR
			\| Autoignition=
⚫	}}
			}}
⚫	\| Section2 = {{Chembox Properties
	\| C = 7
	\| H = 11
	\| N = 5
	\| O = 8
	\| P = 2
	\| ExactMass = 355.008285377 g mol<sup>-1</sup>
	\| LogP = -2.915
	\| pKa = 1.252
	\| pKb = 12.745
⚫	}}
	}}		}}

Revision as of 17:12, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 413109213 of page 2-Aminoacridine with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name acridin-2-amine
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChEMBL	ChEMBL146566
ChemSpider	10906
PubChem CID	11384
InChI InChI=1S/C13H10N2/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)15-13/h1-8H,14H2Key: UTXPWBKKZFLMPZ-UHFFFAOYSA-N InChI=1/C13H10N2/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)15-13/h1-8H,14H2Key: UTXPWBKKZFLMPZ-UHFFFAOYAK
SMILES C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)N n1c3c(cc2c1cccc2)cc(cc3)N
Properties
Chemical formula	C₁₃H₁₀N₂
Molar mass	194.23 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