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

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Revision as of 12:09, 17 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 447131021 of page Felodipine for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit		Revision as of 12:10, 17 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 455774442 of page Felypressin 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
	\| verifiedrevid = ~~411546831~~		\| verifiedrevid = 402117847
	\| IUPAC_name = 3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
	\| ~~image~~ = ~~Felodipine~~.png		\|ImageFile=felypressin.png
			\|ImageSize=
	\| image2 = Felodipine-from-xtal-1989-3D-balls.png
			\| IUPACName=<small>1--pyrrolidine-2-carboxylic acid -amide</small>

			\|OtherNames=
	<!--Clinical data-->
			\|Section1={{Chembox Identifiers
	\| tradename = Plendil
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| Drugs.com = {{drugs.com\|monograph\|felodipine}}
		⚫	\| ChemSpiderID = 16736539
	\| MedlinePlus = a692016
		⚫	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| pregnancy_US = C
			\| ChEMBL = <!-- blanked - oldvalue: 1697764 -->
	\| legal_status = Rx-only
	\| routes_of_administration = ]

	<!--Pharmacokinetic data-->
	\| bioavailability = 15% <ref>AstraZeneca MI Department, 16th April 2010</ref>
	\| metabolism = ]
	\| elimination_half-life = ??
	\| excretion = ]

	<!--Identifiers-->
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number = 72509-76-3
	\| ATC_prefix = C08
	\| ATC_suffix = CA02
⚫	\| PubChem = ~~3333~~
⚫	\| DrugBank = ~~DB01023~~
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| ChemSpiderID = ~~3216~~
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~OL961R6O2C~~		\| UNII = 17N2918V6G
			\| InChI = 1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| InChIKey = SFKQVVDKFKYTNA-DZCXQCEKBI
	\| KEGG = D00319
⚫	\| ChEBI = ~~585948~~
⚫	\| ChEMBL_Ref = {{ebicite\|~~correct~~\|EBI}}
	\| ChEMBL = 1480

	<!--Chemical data-->
	\| C=18 \| H=19 \| Cl=2 \| N=1 \| O=4
	\| molecular_weight = 384.259 g/mol
	\| smiles = O=C(OCC)\C1=C(\N/C(=C(/C(=O)OC)C1c2cccc(Cl)c2Cl)C)C
	\| InChI = 1/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
	\| InChIKey = RZTAMFZIAATZDJ-UHFFFAOYAS
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
	\| StdInChI = 1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~RZTAMFZIAATZDJ~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = SFKQVVDKFKYTNA-DZCXQCEKSA-N
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| CASNo=56-59-7
		⚫	\| PubChem=5956
			\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
		⚫	\| DrugBank = DB00093
			\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
		⚫	\| ChEBI = 60564
			\| SMILES = NC(=O)CNC(=O)(CCCCN)NC(=O)1CCCN1C(=O)4NC(=O)(NC(=O)(CCC(N)=O)NC(=O)(Cc2ccccc2)NC(=O)(Cc3ccccc3)NC(=O)(N)CSSC4)CC(N)=O
			}}
			\|Section2={{Chembox Properties
			\| Formula=C<sub>46</sub>H<sub>65</sub>N<sub>13</sub>O<sub>11</sub>S<sub>2</sub>
			\| MolarMass=1040.22 g/mol
			\| Appearance=
			\| Density=
			\| MeltingPt=
			\| BoilingPt=
			\| Solubility=
			}}
			\|Section3={{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
	}}		}}

Revision as of 12:10, 17 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 455774442 of page Felypressin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 1--pyrrolidine-2-carboxylic acid -amide
Identifiers
CAS Number	56-59-7
3D model (JSmol)	Interactive image
ChEBI	CHEBI:60564
ChemSpider	16736539
DrugBank	DB00093
PubChem CID	5956
UNII	17N2918V6G
InChI InChI=1S/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1Key: SFKQVVDKFKYTNA-DZCXQCEKSA-N InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1Key: SFKQVVDKFKYTNA-DZCXQCEKBI
SMILES NC(=O)CNC(=O)(CCCCN)NC(=O)1CCCN1C(=O)4NC(=O)(NC(=O)(CCC(N)=O)NC(=O)(Cc2ccccc2)NC(=O)(Cc3ccccc3)NC(=O)(N)CSSC4)CC(N)=O
Properties
Chemical formula	C₄₆H₆₅N₁₃O₁₁S₂
Molar mass	1040.22 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