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

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Revision as of 14:37, 5 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 459941314 of page Propranolol for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 14:38, 5 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 460199104 of page Propyl_acetate for the Chem/Drugbox validation project (updated: '').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.}}
			{{chembox
	~~{{Drugbox~~\| Verifiedfields = changed		\| Verifiedfields = changed
	\| Watchedfields = changed		\| Watchedfields = changed
	\| verifiedrevid = ~~415686711~~		\| verifiedrevid = 417944019
			\| Name = Propyl acetate
	\| IUPAC_name = (''RS'')-1-(1-methylethylamino)-3-(1-naphthyloxy)propan-2-ol
		⚫	\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| image = Propranolol-2D-skeletal.png
			\| ImageFile = Propyl acetate.png
	\| width = 280
			<!-- \| ImageSize = 200px -->
	\| image2 = Propranolol-from-xtal-3D-balls.png
			\| ImageName = Propyl acetate
	\| width2 = 150
			\| IUPACName = Propyl ethanoate
	\| imagename = 1 : 1 mixture (racemate)
			\| OtherNames = Propyl acetate<br />n-Propyl ethanoate</br>n-Propyl acetate</br>Propylacetate</br>Acetic acid, propyl ester</br>n-Propyl ester of acetic acid
	\| drug_name = Propranolol
			\| Section1 = {{Chembox Identifiers

		⚫	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	<!--Clinical data-->
	\| ~~brand~~ = ~~Inderal~~		\| DrugBank = DB01670
			\| SMILES = O=C(OCCC)C
	\| Drugs.com = {{drugs.com\|monograph\|propranolol-hydrochloride}}
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| licence_US = Propranolol
	\| ~~pregnancy_AU~~ = C		\| ChemSpiderID = 7706
	\| ~~pregnancy_US~~ = C		\| PubChem = 7997
	\| legal_AU = S4
	\| legal_UK = POM
	\| legal_US = Rx-only
	\| routes_of_administration = oral, ]

	<!--Pharmacokinetic data-->
	\| bioavailability = 26%
	\| metabolism = ] (extensive)
	\| elimination_half-life = 4-5 hours
	\| excretion = ] <1%

	<!--Identifiers-->
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
⚫	\| ~~CAS_number_Ref~~ = {{~~cascite~~\|correct\|??}}
	\| CAS_number = 525-66-6
	\| ATC_prefix = C07
	\| ATC_suffix = AA05
	\| PubChem = 4946
	\| IUPHAR_ligand = 564
⚫	\| DrugBank_Ref = {{drugbankcite\|~~correct~~\|drugbank}}
	\| DrugBank = DB00571
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 4777
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~9Y8NXQ24VQ~~		\| UNII = 4AWM8C91G6
			\| InChI = 1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| InChIKey = YKYONYBAUNKHLG-UHFFFAOYAC
	\| KEGG = D08443
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
	\| ChEBI = 8499
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 27		\| ChEMBL = 44857

	<!--Chemical data-->
	\| C=16 \| H=21 \| N=1 \| O=2
	\| molecular_weight = 259.34 g/mol
	\| smiles = CC(C)NCC(COc1cccc2c1cccc2)O
	\| InChI = 1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C16H21NO2~~/c1~~-12(2)17-10-14(18)11-19-16-9-5-7-13-6~~-3-4-8-15(13)16/h3-~~9,12,14,17-18H,10-11H2~~,1-2H3		\| StdInChI = 1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~AQHHHDLHHXJYJD~~-UHFFFAOYSA-N		\| StdInChIKey = YKYONYBAUNKHLG-UHFFFAOYSA-N
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CASNo = 109-60-4
			}}
			\| Section2 = {{Chembox Properties
			\| Formula = C<sub>5</sub>H<sub>10</sub>O<sub>2</sub>
			\| MolarMass = 102.131 g/mol
			\| Appearance = Clear, colourless liquid
			\| Density = 0.888 g/cm<sup>3</sup>, liquid
			\| MeltingPt = −95 °C (178 K)
			\| BoilingPt = 102 °C (374.8 K)
			}}
			\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =
			\| EUClass = Flammable ('''F''')<br />Irritant ('''Xi''')
			\| NFPA-H = 2
			\| NFPA-F = 3
			\| NFPA-R =
			\| RPhrases = {{R11}}, {{R36}}
			\| SPhrases = {{S2}}, {{S16}}, {{S26}}, {{S29}},<br /> {{S33}}
			\| FlashPt = 13-14 °C
			\| Autoignition = 450 °C
			}}<!--

			\| LEL/UEL
			\| 1.7-8% @ 38 °C
			\|-

			-->
			\| Section8 = {{Chembox Related
			\| Function = ]s
			\| OtherFunctn = ]<br />''n''-]<br />]
			\| OtherCpds = ]<br /> ]
			}}
	}}		}}

Revision as of 14:38, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 460199104 of page Propyl_acetate with values updated to verified values.

Propyl acetate
Names
Propyl acetate
IUPAC name Propyl ethanoate
Other names Propyl acetate n-Propyl ethanoate n-Propyl acetate Propylacetate Acetic acid, propyl ester n-Propyl ester of acetic acid
Identifiers
CAS Number	109-60-4
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL44857
ChemSpider	7706
DrugBank	DB01670
PubChem CID	7997
UNII	4AWM8C91G6
InChI InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3Key: YKYONYBAUNKHLG-UHFFFAOYSA-N InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3Key: YKYONYBAUNKHLG-UHFFFAOYAC
SMILES O=C(OCCC)C
Properties
Chemical formula	C₅H₁₀O₂
Molar mass	102.131 g/mol
Appearance	Clear, colourless liquid
Density	0.888 g/cm, liquid
Melting point	−95 °C (178 K)
Boiling point	102 °C (374.8 K)
Hazards
NFPA 704 (fire diamond)	2 3
Flash point	13-14 °C
Related compounds
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