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Revision as of 17:18, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 476199008 of page 2-Diphenylmethylpyrrolidine for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit		Revision as of 17:18, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 462373590 of page 2-Ethoxyethanol for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInChIKey').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 = 456499332
	\| Watchedfields = changed
			\| Name = 2-Ethoxyethanol
⚫	\| verifiedrevid = ~~449577628~~
			\| ImageFile = 2-Ethoxyethanol2.svg
	\| IUPAC_name = (''RS'')-2-(Diphenylmethyl)pyrrolidine
			\| ImageSize = 200px
	\| image = 2-Diphenylmethylpyrrolidine.png
			\| ImageName = 2-Ethoxyethanol
	\| width = 200
			\| IUPACName = 2-ethoxyethanol
	\| imagename = 1 : 1 mixture (racemate)
			\| OtherNames = Cellosolve<br />ethylene glycol ethyl ether<br />oxitol<br />Ethyl Cellosolve
	\| drug_name = 2-Diphenylmethylpyrrolidine
			\| Section1 = {{Chembox Identifiers

			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	<!--Clinical data-->
	\| ~~tradename~~ =		\| DrugBank = DB02249
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| pregnancy_category =
		⚫	\| ChEBI = <!-- blanked - oldvalue: 46788 -->
	\| legal_status =
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| routes_of_administration =
			\| KEGG = C14687

		⚫	\| PubChem =
	<!--Pharmacokinetic data-->
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| bioavailability =
	\| ~~protein_bound~~ =		\| ChemSpiderID = 7785
			\| SMILES = CCOCCO
	\| metabolism =
			\| InChI = 1/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
	\| elimination_half-life =
			\| InChIKey = ZNQVEEAIQZEUHB-UHFFFAOYAD
	\| excretion =
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}

			\| StdInChI = <!-- blanked - oldvalue: 1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3 -->
	<!--Identifiers-->
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| ~~CAS_number~~ = <!-- blanked - oldvalue: ~~119237-64-8~~ -->
		⚫	\| StdInChIKey = <!-- blanked - oldvalue: ZNQVEEAIQZEUHB-UHFFFAOYSA-N -->
	\| ATC_prefix =
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ATC_suffix =
			\| ChEMBL = <!-- blanked - oldvalue: 119596 -->
⚫	\| PubChem = ~~1295~~
	\| ~~DrugBank_Ref~~ = {{~~drugbankcite~~\|correct\|~~drugbank~~}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| ~~DrugBank~~ =		\| UNII = IDK7C2HS09
	\| ~~ChemSpiderID_Ref~~ = {{~~chemspidercite~~\|correct\|~~chemspider~~}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CASNo = 110-80-5
	\| ChemSpiderID = 1256
			\| RTECS = KK8050000

			}}
	<!--Chemical data-->
			\| Section2 = {{Chembox Properties
	\| C=17 \| H=19 \| N=1		\| C=4\|H=10\|O=2
	\| molecular_weight = 237.339
			\| Appearance = clear liquid
	\| smiles = c1cc(ccc1)C(c2ccccc2)C3NCCC3
			\| Density = 0.930 g/cm<sup>3</sup>, liquid
	\| InChI = 1/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2
			\| Solubility = miscible
	\| InChIKey = OXOBKZZXZVFOBB-UHFFFAOYAN
			\| MeltingPtC = -70
⚫	\| ~~StdInChI_Ref~~ = {{~~stdinchicite~~\|correct\|chemspider}}
			\| BoilingPtC = 135
	\| StdInChI = 1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2
			\| Viscosity =
⚫	\| ~~StdInChIKey_Ref~~ = {{stdinchicite\|correct\|chemspider}}
			}}
⚫	\| StdInChIKey = ~~OXOBKZZXZVFOBB~~-UHFFFAOYSA-N
			\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =
			\| MainHazards =
			\| NFPA-H = 2
			\| NFPA-F = 2
			\| NFPA-R =
			\| FlashPt = 44 °C
			\| RPhrases = {{R10}}, {{R20/21/22}},<br />{{R60}}, {{R61}}
			\| SPhrases = {{S53}}, {{S45}}
			}}
			\| Section8 = {{Chembox Related
			\| Function = ]s
			\| OtherFunctn = ]<br />]
			\| OtherCpds = ]
			}}
	}}		}}

Revision as of 17:18, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 462373590 of page 2-Ethoxyethanol with values updated to verified values.

2-Ethoxyethanol
Names

IUPAC name 2-ethoxyethanol
Other names Cellosolve ethylene glycol ethyl ether oxitol Ethyl Cellosolve
Identifiers
CAS Number	110-80-5
3D model (JSmol)	Interactive image
ChemSpider	7785
DrugBank	DB02249
KEGG	C14687
RTECS number	KK8050000
UNII	IDK7C2HS09
InChI InChI=1/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3Key: ZNQVEEAIQZEUHB-UHFFFAOYAD
SMILES CCOCCO
Properties
Chemical formula	C₄H₁₀O₂
Molar mass	90.122 g·mol
Appearance	clear liquid
Density	0.930 g/cm, liquid
Melting point	−70 °C (−94 °F; 203 K)
Boiling point	135 °C (275 °F; 408 K)
Solubility in water	miscible
Hazards
NFPA 704 (fire diamond)	2 2
Flash point	44 °C
Related compounds
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