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

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Revision as of 14:43, 5 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 447990923 of page Propylketobemidone for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 14:44, 5 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 449140127 of page Propylparaben 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.}}
	{{~~Drugbox~~		{{chembox
	\| verifiedrevid = ~~400869429~~		\| verifiedrevid = 412738324
			\| ImageFile_Ref = {{chemboximage\|correct\|??}}
	\| IUPAC_name = 1-butan-1-one
			\| ImageFile=Propylparaben.svg
	\| image = Propylketobemidone.svg
			\|ImageSize=
	\| width = 160
			\|IUPACName=propyl 4-hydroxybenzoate

			\|OtherNames=4-Hydroxybenzoesäurepropylester;<br>propyl paraben;<br>propyl ''p''-hydroxybenzoate;<br>propyl parahydroxybenzoate;<br>nipasol;<br>E216
	<!--Clinical data-->
			\|Section1= {{Chembox Identifiers
	\| tradename =
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
		⚫	\| ChemSpiderID = 6907
	\| pregnancy_US = <!-- A / B / C / D / X -->
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| pregnancy_category =
			\| UNII = Z8IX2SC1OH
	\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| legal_CA = <!-- Schedule I -->
			\| KEGG = D01422
	\| legal_UK = <!-- Class A -->
			\| InChI = 1/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
	\| legal_US = <!-- Schedule I -->
			\| InChIKey = QELSKZZBTMNZEB-UHFFFAOYAD
	\| legal_status =
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| routes_of_administration =
			\| ChEMBL = 194014

	<!--Pharmacokinetic data-->
	\| bioavailability =
	\| protein_bound =
	\| metabolism =
	\| elimination_half-life =
	\| excretion =

	<!--Identifiers-->
	\| CAS_number =
	\| ATC_prefix = none
	\| ATC_suffix =
⚫	\| PubChem =
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank =
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~21106370~~

	<!--Chemical data-->
	\| C=16 \| H=23 \| N=1 \| O=2
	\| molecular_weight = 261.37 g/mol
	\| smiles = O=C(CCC)C1(CCN(C)CC1)c2cccc(O)c2
	\| InChI = 1/C16H23NO2/c1-3-5-15(19)16(8-10-17(2)11-9-16)13-6-4-7-14(18)12-13/h4,6-7,12,18H,3,5,8-11H2,1-2H3
	\| InChIKey = VQISXVAQCJSTNS-UHFFFAOYAL
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C16H23NO2~~/c1-3-5-15(19)~~16(~~8-10-17(2)11~~-9-16~~)~~13-~~6-4-7-~~14(18)12-13/h4,~~6-7,12,~~18H~~,3,~~5,8-11H2,1-2H3~~		\| StdInChI = 1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~VQISXVAQCJSTNS~~-UHFFFAOYSA-N		\| StdInChIKey = QELSKZZBTMNZEB-UHFFFAOYSA-N
			\| CASNo=94-13-3
	\| synonyms =
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	\| PubChem=7175
			\| SMILES = O=C(OCCC)c1ccc(O)cc1
			}}
			\|Section2= {{Chembox Properties
			\| Formula=C<sub>10</sub>H<sub>12</sub>O<sub>3</sub>
			\| MolarMass=180.2 g/mol
			\| Appearance=
			\| Density= 1.0630 g/cm^3
			\| MeltingPt= 96-99 °C
			\| BoilingPt=
			\| Solubility=
			}}
			\|Section3= {{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
			\| Section8 = {{Chembox Related
			\| OtherAnions =
			\| OtherCations =
			\| OtherFunctn =
			\| Function =
			\| OtherCpds = ]<br />]<br />]<br />]
			}}
	}}		}}

Revision as of 14:44, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 449140127 of page Propylparaben with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name propyl 4-hydroxybenzoate
Other names 4-Hydroxybenzoesäurepropylester; propyl paraben; propyl p-hydroxybenzoate; propyl parahydroxybenzoate; nipasol; E216
Identifiers
CAS Number	94-13-3
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL194014
ChemSpider	6907
KEGG	D01422
PubChem CID	7175
UNII	Z8IX2SC1OH
InChI InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3Key: QELSKZZBTMNZEB-UHFFFAOYSA-N InChI=1/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3Key: QELSKZZBTMNZEB-UHFFFAOYAD
SMILES O=C(OCCC)c1ccc(O)cc1
Properties
Chemical formula	C₁₀H₁₂O₃
Molar mass	180.2 g/mol
Density	1.0630 g/cm^3
Melting point	96-99 °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

Chemical compound