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

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Revision as of 18:15, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{drugbox}} taken from revid 476008196 of page 4-Hydroxy-5-methoxydimethyltryptamine for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit		Revision as of 18:15, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{chembox}} taken from revid 473879052 of page 4-Hydroxybenzaldehyde 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
			\| Watchedfields = changed
	\| verifiedrevid = ~~423066961~~		\| verifiedrevid = 443654703
	\| IUPAC_name = 4-Hydroxy-5-methoxy-N,N-dimethyltryptamine
	\| ~~image~~ = 4-~~HO-5-MeO-DMT~~.svg		\|ImageFile=4-hydroxybenzaldehyde.svg
			\|ImageSize=80px
	\| width = 140
			\|IUPACName=4-Hydroxybenzaldehyde

			\|OtherNames=''p''-Hydroxybenzaldehyde
	<!--Clinical data-->
			\|Section1={{Chembox Identifiers
	\| tradename =
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| pregnancy_AU =
	\| ~~pregnancy_US~~ =		\| ChemSpiderID = 123
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| pregnancy_category =
	\| ~~legal_AU~~ =		\| UNII = O1738X3Y38
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| legal_CA =
	\| ~~legal_UK~~ =		\| KEGG = C00633
			\| InChI = 1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
	\| legal_US =
			\| InChIKey = RGHHSNMVTDWUBI-UHFFFAOYAN
	\| legal_status =
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| routes_of_administration =
			\| ChEMBL = 14193

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

	<!--Identifiers-->
⚫	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|~~CAS~~}}
	\| CAS_number = <!-- blanked - oldvalue: 2433-31-0 -->
	\| ATC_prefix =
	\| ATC_suffix =
⚫	\| PubChem =
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 21106242

	<!--Chemical data-->
⚫	\| C=13 \| H=18 \| ~~N=2 \|~~ O=2
	\| molecular_weight = 234.30 g/mol
	\| smiles = CN(C)CCc2cnc1ccc(OC)c(O)c12
	\| InChI = 1/C13H18N2O2/c1-15(2)7-6-9-8-14-10-4-5-11(17-3)13(16)12(9)10/h4-5,8,14,16H,6-7H2,1-3H3
	\| InChIKey = YTBHRCRBKLRGBT-UHFFFAOYAF
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C13H18N2O2~~/c1-~~15(2)7~~-6-9-~~8-14-10~~-4-5-~~11(17-3)13(16)12(9)10~~/h4-5,~~8,14,16H,6-7H2,1-3H3~~		\| StdInChI = 1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~YTBHRCRBKLRGBT~~-UHFFFAOYSA-N		\| StdInChIKey = RGHHSNMVTDWUBI-UHFFFAOYSA-N
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| melting_point =
			\| CASNo=123-08-0
	\| melting_high =
		⚫	\| PubChem=126
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 17597
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank = DB03560
			\| SMILES = O=Cc1ccc(O)cc1
			}}
			\|Section2={{Chembox Properties
		⚫	\| C=7\|H=6\|O=2
			\| Appearance=yellow to tan powder
			\| Density=1.226 ± 0.06 g/cm<sup>3</sup>
			\| MeltingPt=112–116 °C
			\| BoilingPt=310–311 °C
			\| Solubility=
			}}
			\|Section3={{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
	}}		}}

Revision as of 18:15, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 473879052 of page 4-Hydroxybenzaldehyde with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 4-Hydroxybenzaldehyde
Other names p-Hydroxybenzaldehyde
Identifiers
CAS Number	123-08-0
3D model (JSmol)	Interactive image
ChEBI	CHEBI:17597
ChEMBL	ChEMBL14193
ChemSpider	123
DrugBank	DB03560
KEGG	C00633
PubChem CID	126
UNII	O1738X3Y38
InChI InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9HKey: RGHHSNMVTDWUBI-UHFFFAOYSA-N InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9HKey: RGHHSNMVTDWUBI-UHFFFAOYAN
SMILES O=Cc1ccc(O)cc1
Properties
Chemical formula	C₇H₆O₂
Molar mass	122.123 g·mol
Appearance	yellow to tan powder
Density	1.226 ± 0.06 g/cm
Melting point	112–116 °C
Boiling point	310–311 °C
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