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

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Revision as of 13:43, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 464343692 of page Saxitoxin for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'StdInChI', 'StdInChIKey').← Previous edit		Revision as of 13:45, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 456495290 of page Scarlet_GN for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'StdInChI', 'StdInChIKey', '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
	\| Verifiedfields = changed		\| Verifiedfields = changed
	\| verifiedrevid = ~~461775540~~		\| verifiedrevid = 456489563
	\| ImageFile = ~~Saxitoxin_structure~~.~~png~~		\| ImageFile = Scarlet_GN.svg
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| ImageSize =
			\| ImageName = Kekulé, canonical skeletal formula of scarlet GN ((6E)-6-hydrazinylidene)
	\| IUPACName = (3a''S''-(3a-α,4-α,10a''R''*))-2,6-diamino-4-(((amino-carbonyl)oxy)methyl)-3a,4,8,9-tetrahydro-1''H'',10''H''-pyrrolo(1,2-c)purine-10,10-diol
			\| PIN = Disodium 3--4-oxonaphthalene-1-sulfonate{{Citation needed\|date = September 2011}}
	\| OtherNames =
			\| OtherNames = Crimson 4R{{Citation needed\|date = September 2011}}<br />
			C.I. Food Red 1{{Citation needed\|date = September 2011}}<br />
			Food red 1{{Citation needed\|date = September 2011}}<br />
			FD & C Red no. 4{{Citation needed\|date = September 2011}}<br />
			Hexacol Ponceau SX{{Citation needed\|date = September 2011}}<br />
			Maple Ponceau SX{{Citation needed\|date = September 2011}}<br />
			Ponceau SX Lake 4R purple{{Citation needed\|date = September 2011}}<br />
			Purple 4R{{Citation needed\|date = September 2011}}
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
	\| CASNo_Ref = {{cascite\|~~correct~~\|~~CAS~~}}		\| CASNo_Ref = {{cascite\|changed\|??}}
	\| CASNo = ~~35523~~-89-8		\| CASNo = <!-- blanked - oldvalue: 3257-28-1 -->
			\| CASNo_Comment = <small>(6''Z'')-6-hydrazinylidene</small>
	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
		⚫	\| PubChem = 6537642
	\| ChEMBL = <!-- blanked - oldvalue: 501134 -->
			\| PubChem_Ref = {{Pubchemcite\|correct\|Pubchem}}
⚫	\| PubChem = ~~37165~~
			\| PubChem_Comment = <small>(6''Z'')-6-hydrazinylidene</small>
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| PubChem1 = 5483118
⚫	\| ChemSpiderID = ~~16736462~~
			\| PubChem1_Ref = {{Pubchemcite\|correct\|Pubchem}}
	\| SMILES = O=C(OC2/N=C(/N)N31(/N=C(\N12)N)C(O)(O)CC3)N
			\| PubChem1_Comment = <small>(6''E'')-6-hydrazinylidene</small>
	\| InChI = 1/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
		⚫	\| ChemSpiderID = 21106479
	\| InChIKey = RPQXVSUAYFXFJA-HGRQIUPRBO
	\| ~~StdInChI_Ref~~ = {{~~stdinchicite~~\|~~correct~~\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|changed\|chemspider}}
			\| ChemSpiderID_Comment = <small>(6''Z'')-6-hydrazinylidene</small>
	\| StdInChI = 1S/C11H18N6O4/c12-7-4-1-2-10(19,20)11(4)6(16-8(13)17-11)5(15-7)3-21-9(14)18/h4-6,19-20H,1-3H2,(H2,12,15)(H2,14,18)(H3,13,16,17)/p+2/t4?,5?,6-,11+/m0/s1
			\| EINECS = 221-856-3
⚫	\| StdInChIKey_Ref = {{stdinchicite\|~~correct~~\|chemspider}}
			\| SMILES = Cc1cc(C)c(NN=c2ccc3c(cccc3c2=O)S(=O)(=O)O)c(c1)S(=O)(=O)O
⚫	\| StdInChIKey = ~~ZDYJXQPUIPVTAJ~~-~~RIQMIMBASA~~-P
			\| SMILES1 = CC1=CC(=C(NN=C2C=CC3=C(C=CC=C3C2=O)S(=O)(=O)O)C(C)=C1)S(=O)(=O)O
			\| StdInChI = 1S/C18H16N2O7S2.2Na/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h3-9,15H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;
			\| StdInChI_Ref = {{stdinchicite\|changed\|chemspider}}
		⚫	\| StdInChIKey = BLTDGHUKBPVCPH-LLIZZRELSA-L
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
	}}		}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| Formula =		\| Formula = {{Chem\|Na\|2\|C\|18\|H\|14\|N\|2\|S\|2\|O\|7}}
			\| MolarMass = 480.422 g mol<sup>-1</sup>
	\| C=10 \| H=17 \| N=7 \| O=4
	\| ~~MolarMass~~ = ~~299~~.29 g/mol		\| ExactMass = 480.003781542 g mol<sup>-1</sup>
			}}
	\| Appearance =
	\| Density =
	\| MeltingPt =
	\| BoilingPt =
	\| Solubility = }}
	\| Section3 = {{Chembox Hazards
	\| MainHazards =
	\| FlashPt =
	\| Autoignition = }}
	}}		}}

Revision as of 13:45, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 456495290 of page Scarlet_GN with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
Kekulé, canonical skeletal formula of scarlet GN ((6E)-6-hydrazinylidene)
Preferred IUPAC name Disodium 3--4-oxonaphthalene-1-sulfonate
Other names Crimson 4R C.I. Food Red 1 Food red 1 FD & C Red no. 4 Hexacol Ponceau SX Maple Ponceau SX Ponceau SX Lake 4R purple Purple 4R
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChemSpider	21106479 (6Z)-6-hydrazinylidene
EC Number	221-856-3
PubChem CID	6537642 (6Z)-6-hydrazinylidene 5483118 (6E)-6-hydrazinylidene
InChI InChI=1S/C18H16N2O7S2.2Na/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h3-9,15H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;Key: BLTDGHUKBPVCPH-LLIZZRELSA-L
SMILES Cc1cc(C)c(NN=c2ccc3c(cccc3c2=O)S(=O)(=O)O)c(c1)S(=O)(=O)O CC1=CC(=C(NN=C2C=CC3=C(C=CC=C3C2=O)S(=O)(=O)O)C(C)=C1)S(=O)(=O)O
Properties
Chemical formula	Na ₂C ₁₈H ₁₄N ₂S ₂O ₇
Molar mass	480.422 g mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Chemical compound