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Revision as of 10:50, 9 April 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 477165069 of page Bilastine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 10:50, 9 April 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{drugbox}} taken from revid 451224820 of page Binedaline for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey', 'CAS_number').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{Chembox {{Drugbox
| IUPAC_name = ''N'',''N'',''N''-trimethyl-''N''-(3-phenylindol-1-yl)ethane-1,2-diamine
| ImageFile = Bilastine.svg
| image = Binedaline.png
| ImageSize = 200px

| IUPACName = 2--1-piperidinyl}ethyl)phenyl]-2-methylpropanoic acid
<!--Clinical data-->
| OtherNames =
| tradename =
| Section1 = {{Chembox Identifiers
| pregnancy_category =
| CASNo = <!-- blanked - oldvalue: 202189-78-4 -->
| legal_status = Uncontrolled
| CASNo_Ref = {{cascite|correct|}}
| routes_of_administration = Oral
| UNII = PA1123N395

| PubChem = 185460
<!--Pharmacokinetic data-->
| ChemSpiderID = 161234
| bioavailability =
| SMILES = O=C(O)C(c1ccc(cc1)CCN4CCC(c2nc3ccccc3n2CCOCC)CC4)(C)C
| metabolism =
| InChI = 1/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)
| elimination_half-life =
| InChIKey = ACCMWZWAEFYUGZ-UHFFFAOYAW
| excretion =
| StdInChI = 1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)

| StdInChIKey = ACCMWZWAEFYUGZ-UHFFFAOYSA-N
<!--Identifiers-->
}}
| CAS_number = <!-- blanked - oldvalue: 60662-16-0 -->
| Section2 = {{Chembox Properties
| ATC_prefix = none
| C=28|H=37|N=3|O=3
| Appearance = | ATC_suffix =
| StdInChI = 1S/C19H23N3/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22/h4-12,15H,13-14H2,1-3H3
| Density =
| StdInChIKey = SXYFFMXPDDGOEK-UHFFFAOYSA-N
| MeltingPt =
| BoilingPt = | PubChem = 42509
| ChemSpiderID = 38769
| Solubility =
| UNII_Ref = {{fdacite|correct|FDA}}
}}
| UNII = 3AVG9P140R
| Section3 = {{Chembox Hazards

| MainHazards =
<!--Chemical data-->
| FlashPt =
| C=19 | H=24 | Cl=1 | N=3
| Autoignition =
| molecular_weight = 329.86696 g/mol
}}
| smiles = c1cccc2c1c(cn2N(CCN(C)C)C)c3ccccc3
| Section5 = {{Chembox Pharmacology
| InChI = 1/C19H23N3/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22/h4-12,15H,13-14H2,1-3H3
| AdminRoutes =
| InChIKey = SXYFFMXPDDGOEK-UHFFFAOYAM
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US = }}
}} }}

Revision as of 10:50, 9 April 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 451224820 of page Binedaline with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Routes of
administration
Oral
ATC code
  • none
Legal status
Legal status
  • In general: uncontrolled
Identifiers
IUPAC name
  • N,N,N-trimethyl-N-(3-phenylindol-1-yl)ethane-1,2-diamine
PubChem CID
ChemSpider
UNII
Chemical and physical data
FormulaC19H24ClN3
Molar mass329.86696 g/mol g·mol
3D model (JSmol)
SMILES
  • c1cccc2c1c(cn2N(CCN(C)C)C)c3ccccc3
InChI
  • InChI=1S/C19H23N3/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22/h4-12,15H,13-14H2,1-3H3
  • Key:SXYFFMXPDDGOEK-UHFFFAOYSA-N
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