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

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Revision as of 17:00, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{drugbox}} taken from revid 460401927 of page 2,3-Methylenedioxyamphetamine for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit		Revision as of 17:00, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,055 edits Saving copy of the {{chembox}} taken from revid 429508070 of page 2,3-Oxidosqualene for the Chem/Drugbox validation project (updated: '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 = ~~451227282~~		\| verifiedrevid = 399199419
			\|ImageFile=2,3-oxidosqualene.svg
	\| IUPAC_name = 1-(1,3-benzodioxol-4-yl)propan-2-amine
			\|ImageSize=300px
	\| image = 2,3-MDA_structure.png
			\|IUPACName=2,2-Dimethyl-3-oxirane

			\|OtherNames=Squalene oxide<br>2,3-Squalene oxide
	<!--Clinical data-->
			\|Section1= {{Chembox Identifiers
	\| tradename =
			\| InChI = 1/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+
	\| pregnancy_category =
			\| InChIKey = QYIMSPSDBYKPPY-BANQPHDMBU
	\| legal_status = Uncontrolled <small>(but may be covered under the ] in the ] and under similar bills in other countries)</small>
			\| SMILES1 = CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C)/C)/C)C
	\| routes_of_administration = ]

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

	<!--Identifiers-->
	\| CAS_number_Ref = {{cascite\|correct\|??}}
⚫	\| ~~CAS_number~~ = <!-- blanked - oldvalue: ~~23693~~-17-6 -->
	\| ATC_prefix = none
	\| ATC_suffix =
⚫	\| PubChem = ~~152655~~
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~134547~~

	<!--Chemical data-->
	\| C=10 \| H=13 \| N=1 \| O=2
	\| molecular_weight = 179.22 g/mol
	\| smiles = CC(N)Cc2c1OCOc1ccc2
	\| InChI = 1/C10H13NO2/c1-7(11)5-8-3-2-4-9-10(8)13-6-12-9/h2-4,7H,5-6,11H2,1H3
	\| InChIKey = XOOVOZRNDZPGLF-UHFFFAOYAP
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C10H13NO2~~/c1-7(11)5-8-3-2-4-9-10(8)13-6-12-9/h2-4,7H,5-6,~~11H2~~,~~1H3~~		\| StdInChI = 1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~XOOVOZRNDZPGLF~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = QYIMSPSDBYKPPY-BANQPHDMSA-N
		⚫	\| CASNo = <!-- blanked - oldvalue: 7200-26-2 -->
		⚫	\| PubChem=5366020
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 4517951
			\| SMILES = O1C(C)(C)C1CC/C(=C/CC/C(=C/CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C)C
			\| MeSHName=2,3-oxidosqualene
			}}
			\|Section2= {{Chembox Properties
			\| Formula=C<sub>30</sub>H<sub>50</sub>O
			\| MolarMass=426.717 g/mol
			\| Appearance=
			\| Density=
			\| MeltingPt=
			\| BoilingPt=
			\| Solubility=
			}}
			\|Section3= {{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
	}}		}}

Revision as of 17:00, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 429508070 of page 2,3-Oxidosqualene with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 2,2-Dimethyl-3-oxirane
Other names Squalene oxide 2,3-Squalene oxide
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChemSpider	4517951
MeSH	2,3-oxidosqualene
PubChem CID	5366020
InChI InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+Key: QYIMSPSDBYKPPY-BANQPHDMSA-N InChI=1/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+Key: QYIMSPSDBYKPPY-BANQPHDMBU
SMILES O1C(C)(C)C1CC/C(=C/CC/C(=C/CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C)C CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C)/C)/C)C
Properties
Chemical formula	C₃₀H₅₀O
Molar mass	426.717 g/mol
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