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

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Revision as of 14:36, 17 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{drugbox}} taken from revid 462750133 of page Benziodarone for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').← Previous edit		Revision as of 14:39, 17 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 469539769 of page Benzyl_salicylate for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').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 = 462787533
	\| Watchedfields = changed
			\| ImageFile = Benzyl salicylate wide.svg
⚫	\| verifiedrevid = ~~444140602~~
			\| ImageSize = 200px
	\| IUPAC_name = 4--2,6-diiodophenol
			\| IUPACName = Benzyl 2-hydroxybenzoate
	\| image = Benziodarone.svg
			\| OtherNames =

			\| Section1 = {{Chembox Identifiers
	<!--Clinical data-->
		⚫	\| CASNo_Ref = {{cascite\|correct\|??}}
	\| tradename =
	\| ~~pregnancy_AU~~ = <!-- A / B1 ~~/ B2 / B3 / C / D / X~~ -->		\| CASNo = <!-- blanked - oldvalue: 118-58-1 -->
		⚫	\| ChEMBL = 460124
	\| pregnancy_US = <!-- A / B / C / D / X -->
			\| PubChem = 8363
	\| pregnancy_category =
			\| SMILES = O=C(OCc1ccccc1)c2ccccc2O
	\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
		⚫	\| ChemSpiderID = 8060
	\| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
			\| InChI = 1/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
	\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
			\| InChIKey = ZCTQGTTXIYCGGC-UHFFFAOYAC
	\| legal_status =
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| routes_of_administration =
			\| StdInChI = 1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2

			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	<!--Pharmacokinetic data-->
		⚫	\| StdInChIKey = ZCTQGTTXIYCGGC-UHFFFAOYSA-N
	\| bioavailability =
			}}
	\| protein_bound =
			\| Section2 = {{Chembox Properties
	\| metabolism =
		⚫	\| C=14\|H=12\|O=3
	\| elimination_half-life =
			\| Appearance = Colorless liquid
	\| excretion =
			\| Density = 1.17 g/cm<sup>3</sup>

			\| MeltingPt =
	<!--Identifiers-->
			\| BoilingPt =
	\| CAS_number = <!-- blanked - oldvalue: 68-90-6 -->
	\| ~~ATC_prefix~~ = ~~C01~~		\| Solubility =
			}}
	\| ATC_suffix = DX04
			\| Section3 = {{Chembox Hazards
⚫	\| ChEMBL = ~~232201~~
	\| ~~PubChem~~ = ~~6237~~		\| MainHazards =
			\| FlashPt =
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| Autoignition =
	\| DrugBank =
			}}
⚫	\| ~~UNII_Ref~~ = {{~~fdacite~~\|correct\|~~FDA~~}}
	\| UNII = 75CL65GTYR
⚫	\| ChemSpiderID = ~~6001~~
	\| InChI = 1/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
	\| InChIKey = CZCHIEJNWPNBDE-UHFFFAOYAF
	\| StdInChI = 1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
⚫	\| StdInChIKey = ~~CZCHIEJNWPNBDE~~-UHFFFAOYSA-N

	<!--Chemical data-->
⚫	\| C=17 \| H=12 \| ~~I=2 \|~~ O=3
	\| molecular_weight = 518.08 g/mol
	}}		}}

Revision as of 14:39, 17 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 469539769 of page Benzyl_salicylate with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name Benzyl 2-hydroxybenzoate
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL460124
ChemSpider	8060
PubChem CID	8363
InChI InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2Key: ZCTQGTTXIYCGGC-UHFFFAOYSA-N InChI=1/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2Key: ZCTQGTTXIYCGGC-UHFFFAOYAC
SMILES O=C(OCc1ccccc1)c2ccccc2O
Properties
Chemical formula	C₁₄H₁₂O₃
Molar mass	228.247 g·mol
Appearance	Colorless liquid
Density	1.17 g/cm
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