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

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Revision as of 12:19, 17 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 456785316 of page Fesoterodine for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').← Previous edit		Revision as of 12:22, 17 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 455635995 of page Flavin_mononucleotide for the Chem/Drugbox validation project (updated: 'ChEMBL').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		\| Verifiedfields = changed
	\| verifiedrevid = ~~399951746~~		\| verifiedrevid = 402131198
			\| ImageFile = Flavin mononucleotide.png
	\| IUPAC_name = -4-(hydroxymethyl)phenyl] 2-methylpropanoate
			\| ImageSize =
	\| image = Fesoterodine.png
			\| IUPACName =

			\| OtherNames = FMN
	<!--Clinical data-->
			\| Section1 = {{Chembox Identifiers
	\| tradename =
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| Drugs.com = {{drugs.com\|monograph\|fesoterodine-fumarate}}
	\| ~~MedlinePlus~~ = ~~a609021~~		\| ChemSpiderID = 559060
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| licence_EU = Toviaz
		⚫	\| UNII = 7N464URE7E
	\| licence_US = Fesoterodine
			\| InChI = 1/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
	\| pregnancy_US = C
			\| InChIKey = FVTCRASFADXXNN-SCRDCRAPBE
	\| legal_status = Rx-only
	\| routes_of_administration = Oral

	<!--Pharmacokinetic data-->
	\| bioavailability = 52% (active metabolite)
	\| protein_bound = 50% (active metabolite)
	\| metabolism = ] (]- and ]-mediated)
	\| elimination_half-life = 7â8 hours (active metabolite)
	\| excretion = ] (70%) and fecal (7%)

	<!--Identifiers-->
⚫	\| ~~CAS_number_Ref~~ = {{cascite\|correct\|??}}
⚫	\| ~~CAS_number~~ = <!-- blanked - oldvalue: ~~286930-03-8~~ -->
	\| CAS_supplemental =
	\| ATC_prefix = G04
	\| ATC_suffix = BD11
	\| ATC_supplemental =
⚫	\| PubChem = ~~6918558~~
	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| DrugBank = DB06702
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 5293755
⚫	\| UNII_Ref = {{fdacite\|~~changed~~\|FDA}}
⚫	\| UNII = ~~621G617227~~
⚫	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|changed\|~~kegg~~}}
	\| KEGG = D07226
⚫	\| ~~ChEMBL_Ref~~ = {{ebicite\|changed\|EBI}}
	\| ChEMBL = <!-- blanked - oldvalue: 1201764 -->
	\| C=26 \| H=37 \| N=1 \| O=3
	\| molecular_weight = 411.278 g/mol
	\| smiles = O=C(Oc1ccc(cc1(c2ccccc2)CCN(C(C)C)C(C)C)CO)C(C)C
	\| InChI = 1/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1
	\| InChIKey = DCCSDBARQIPTGU-HSZRJFAPBK
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C26H37NO3~~/c1-18(2)26(~~29)30-25~~-13~~-12-21~~(17-28)16~~-24~~(25)23(22-~~10-8-7-9~~-11-22)14~~-15-27(19~~(3)~~4)20~~(5)6/h7-13,~~16,18~~-20,23,~~28H~~,14-~~15,17H2~~,1-~~6H3~~/~~t23~~-/m1/s1		\| StdInChI = 1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~DCCSDBARQIPTGU~~-~~HSZRJFAPSA~~-N		\| StdInChIKey = FVTCRASFADXXNN-SCRDCRAPSA-N
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CASNo = 146-17-8
		⚫	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
		⚫	\| ChEMBL = <!-- blanked - oldvalue: 1201794 -->
		⚫	\| PubChem = 643976
		⚫	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
			\| ChEBI = 17621
			\| SMILES = Cc1cc2c(cc1C)n(c-3nc(=O)c(=O)c3n2)C(((COP(=O)(O)O)O)O)O
			\| MeSHName = Flavin+mononucleotide
			}}
			\| Section2 = {{Chembox Properties
			\| Formula = C<sub>17</sub>H<sub>21</sub>N<sub>4</sub>O<sub>9</sub>P
			\| MolarMass = 456.344 g/mol
			\| Appearance =
			\| Density =
			\| MeltingPt =
			\| BoilingPt =
			}}
			\| Section3 = {{Chembox Hazards
			\| Solubility =
			\| MainHazards =
			\| FlashPt =
			\| Autoignition =
			}}
	}}		}}

Revision as of 12:22, 17 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 455635995 of page Flavin_mononucleotide with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

Other names FMN
Identifiers
CAS Number	146-17-8
3D model (JSmol)	Interactive image
ChEBI	CHEBI:17621
ChemSpider	559060
MeSH	Flavin+mononucleotide
PubChem CID	643976
UNII	7N464URE7E
InChI InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1Key: FVTCRASFADXXNN-SCRDCRAPSA-N InChI=1/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1Key: FVTCRASFADXXNN-SCRDCRAPBE
SMILES Cc1cc2c(cc1C)n(c-3nc(=O)c(=O)c3n2)C(((COP(=O)(O)O)O)O)O
Properties
Chemical formula	C₁₇H₂₁N₄O₉P
Molar mass	456.344 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

Chemical compound