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

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Revision as of 19:29, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 466319139 of page A-41988 for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit		Revision as of 19:29, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 458843752 of page A-423,579 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
			\| Verifiedfields = changed
⚫	\| verifiedrevid = ~~408392364~~
			\| Watchedfields = changed
	\| IUPAC_name = 8--5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromenopyridin-10-ol
		⚫	\| verifiedrevid = 456505338
	\| image = A-41988.png
			\| ImageFile = A-423,579_structure.png
	\| width = 240
		⚫	\| ImageFile_Ref = {{chemboximage\|correct\|??}}

			\| ImageSize = 244
	<!--Clinical data-->
			\| ImageName = Stereo, Kekulé, skeletal formula of A-423,579 (({}))
	\| tradename =
			\| IUPACName = 4-(4-{3-propoxy}-3,5-difluorophenyl)benzonitrile{{Citation needed\|date = June 2011}}
	\| legal_status =
			\| Section1 = {{Chembox Identifiers
	\| routes_of_administration =
			\| CASNo_Ref = {{cascite\|changed\|??}}

		⚫	\| CASNo = <!-- blanked - oldvalue: 461045-17-0 -->
	<!--Pharmacokinetic data-->
			\| PubChem1 = 22994515
	\| metabolism =
			\| PubChem1_Ref = {{Pubchemcite\|correct\|pubchem}}
	\| elimination_half-life =
		⚫	\| PubChem = 11349657
	\| excretion =
			\| PubChem_Comment = <small>(''R'')</small>

			\| PubChem_Ref = {{Pubchemcite\|correct\|pubchem}}
	<!--Identifiers-->
			\| ChemSpiderID1 = 13210784
⚫	\| ~~CAS_number_Ref~~ = {{~~cascite~~\|correct\|??}}
		⚫	\| ChemSpiderID1_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ~~CAS_number~~ = <!-- blanked - oldvalue: ~~52763~~-30-1 -->
		⚫	\| ChemSpiderID = 9524593
⚫	\| PubChem = ~~3085018~~
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID_Comment = <small>(''R'')</small>
⚫	\| ChemSpiderID = ~~2341998~~
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL = 498228
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| SMILES1 = CN(C)C1CCN(CCCOc2c(F)cc(cc2F):c2ccc(cc2)C#N)C1
	\| ChEMBL = 303312
			\| SMILES = CN(C)C1CCN(CCCOC2=C(F)C=C(C=C2F)C2=CC=C(C=C2)C#N)C1

			\| StdInChI = 1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3/t19-/m1/s1
	<!--Chemical data-->
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| C=28 \| H=32 \| F=1 \| N=1 \| O=2
		⚫	\| StdInChIKey = DJXFZKXYKKBTDR-LJQANCHMSA-N
	\| molecular_weight = 433.556 g/mol
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| smiles = c4cc(F)ccc4CCCC(C)c3cc(O)c1C=2CN(CC#C)CCC=2C(C)(C)Oc1c3
			}}
	\| InChI = 1/C28H32FNO2/c1-5-14-30-15-13-24-23(18-30)27-25(31)16-21(17-26(27)32-28(24,3)4)19(2)7-6-8-20-9-11-22(29)12-10-20/h1,9-12,16-17,19,31H,6-8,13-15,18H2,2-4H3
			\| Section2 = {{Chembox Properties
	\| InChIKey = UIDOJGIFVOOMLY-UHFFFAOYAY
		⚫	\| C=22\|N=3\|H=25\|O=1\|F=2
⚫	\| ~~StdInChI_Ref~~ = {{~~stdinchicite~~\|correct\|chemspider}}
			\| MolarMass = 385.4502 g mol<sup>-1</sup>
	\| StdInChI = 1S/C28H32FNO2/c1-5-14-30-15-13-24-23(18-30)27-25(31)16-21(17-26(27)32-28(24,3)4)19(2)7-6-8-20-9-11-22(29)12-10-20/h1,9-12,16-17,19,31H,6-8,13-15,18H2,2-4H3
			\| ExactMass = 385.196568847 g mol<sup>-1</sup>
⚫	\| ~~StdInChIKey_Ref~~ = {{stdinchicite\|correct\|chemspider}}
			}}
⚫	\| StdInChIKey = ~~UIDOJGIFVOOMLY~~-~~UHFFFAOYSA~~-N
	}}		}}

Revision as of 19:29, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 458843752 of page A-423,579 with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 4-(4-{3-propoxy}-3,5-difluorophenyl)benzonitrile
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChEMBL	ChEMBL498228
ChemSpider	9524593 (R) 13210784
PubChem CID	11349657 (R) 22994515
InChI InChI=1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3/t19-/m1/s1Key: DJXFZKXYKKBTDR-LJQANCHMSA-N
SMILES CN(C)C1CCN(CCCOC2=C(F)C=C(C=C2F)C2=CC=C(C=C2)C#N)C1 CN(C)C1CCN(CCCOc2c(F)cc(cc2F):c2ccc(cc2)C#N)C1
Properties
Chemical formula	C₂₂H₂₅F₂N₃O
Molar mass	385.4502 g mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound