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

< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively ← Previous edit Next edit →Content deleted Content addedVisual WikitextInline

Revision as of 10:43, 17 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 460444384 of page A-84,543 for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit		Revision as of 10:43, 17 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 464205168 of page A-86929 for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').Next edit →
Line 1:		Line 1:
	{{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 = ~~460443340~~		\| verifiedrevid = 445125229
			\|ImageFile=A-86929_structure.png
	\| IUPAC_name = 3-(1-methyl-2-(S)-pyrrolidinylmethoxy)pyridine
			\|ImageSize=200px
	\| image = A-84543_structure.png
			\|IUPACName=9,10-Dihydroxy-2-propyl-4,5,5a(R),6,7,11b(S)-hexahydrobenzothienoquinoline
	\| width = 240
			\|OtherNames=

			\|Section1= {{Chembox Identifiers
	<!--Clinical data-->
			\| CASNo = <!-- blanked - oldvalue: 166591-11-3 -->
	\| tradename =
			\| SMILES=Oc1cc3c(cc1O)CCC4C3c2cc(CCC)sc2CN4
	\| routes_of_administration =
		⚫	\| ChEMBL = 28338

		⚫	\| PubChem = 9841398
	<!--Identifiers-->
		⚫	\| ChemSpiderID = 8017113
	\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| InChI = 1/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
	\| CAS_number =
			\| InChIKey = REHAKLRYABHSQJ-KDOFPFPSBO
	\| ATC_suffix =
			\| StdInChI = 1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
		⚫	\| StdInChIKey = REHAKLRYABHSQJ-KDOFPFPSSA-N
⚫	\| ChEMBL = ~~127071~~
			}}
⚫	\| PubChem = ~~178052~~
			\|Section2= {{Chembox Properties
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| Formula=C<sub>18</sub>H<sub>21</sub>NO<sub>2</sub>S
⚫	\| ChemSpiderID = ~~155000~~
			\| MolarMass=315.429 g/mol
	\| smiles = O(c1c(nccc1)C)C2NCCC2
			\| Appearance=
	\| InChI = 1/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1
			\| Density=
	\| InChIKey = YRVIKLBSVVNSHF-JTQLQIEIBU
			\| MeltingPt=
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| BoilingPt=
	\| StdInChI = 1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1
			\| Solubility=
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
			}}
⚫	\| StdInChIKey = ~~YRVIKLBSVVNSHF~~-~~JTQLQIEISA~~-N
			\|Section3= {{Chembox Hazards

			\| MainHazards=
	<!--Chemical data-->
			\| FlashPt=
	\| C=11 \| H=16 \| N=2 \| O=1
			\| Autoignition=
	\| molecular_weight = 192.257
			}}
	}}		}}

Revision as of 10:43, 17 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 464205168 of page A-86929 with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 9,10-Dihydroxy-2-propyl-4,5,5a(R),6,7,11b(S)-hexahydrobenzothienoquinoline
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL28338
ChemSpider	8017113
PubChem CID	9841398
InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1Key: REHAKLRYABHSQJ-KDOFPFPSSA-N InChI=1/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1Key: REHAKLRYABHSQJ-KDOFPFPSBO
SMILES Oc1cc3c(cc1O)CCC4C3c2cc(CCC)sc2CN4
Properties
Chemical formula	C₁₈H₂₁NO₂S
Molar mass	315.429 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