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Revision as of 16:51, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 470196191 of page 17-Phenylandrostenol for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 16:51, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473930818 of page 18-Crown-6 for the Chem/Drugbox validation project (updated: '').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
| Watchedfields = changed
| verifiedrevid = 457644602 | verifiedrevid = 457309459
| IUPAC_name = (3R,5S,8R,9S,10S,13S,14S)-​10,13-​dimethyl-​17-​phenyl- 2,3,4,5,6,7,8,9,11,12,14,15-​dodecahydro-​1H-​cyclopentaphenanthren-​3-​ol
| Name = 18-Crown-6
| image = 17-Phenylandrostenol.png
| ImageFile = 18-crown-6.svg
| width = 200
| ImageSize = 150px

| ImageName = Skeletal formula
<!--Clinical data-->
| ImageFile1 = 18-crown-6-3D-balls.png
| tradename =
| ImageName1 = Ball-and-stick model
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| IUPACName = 1,4,7,10,13,16-hexaoxacyclooctadecane
| pregnancy_US = <!-- A / B / C / D / X -->
| Section1 = {{Chembox Identifiers
| pregnancy_category =
| InChI = 1/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| InChIKey = XEZNGIUYQVAUSS-UHFFFAOYAP
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| PubChem = 28557
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| SMILES1 = C1COCCOCCOCCOCCOCCO1
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| legal_status =
| ChEMBL = 155204
| routes_of_administration =
| StdInChI_Ref = {{stdinchicite|changed|chemspider}}

| StdInChI = 1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
<!--Pharmacokinetic data-->
| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
| bioavailability =
| StdInChIKey = XEZNGIUYQVAUSS-UHFFFAOYSA-N
| protein_bound =
| CASNo_Ref = {{cascite|correct|CAS}}
| metabolism =
| CASNo = 17455-13-9
| elimination_half-life =
| SMILES = O1CCOCCOCCOCCOCCOCC1
| excretion =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}

| ChEBI_Ref = {{ebicite|changed|EBI}}
<!--Identifiers-->
| ChEBI = 32397
| CAS_number_Ref = {{cascite|changed|??}}
| ChemSpiderID = 26563
| CAS_number = <!-- blanked - oldvalue: 694438-95-4 -->
}}
| ATC_prefix =
| Section2 = {{Chembox Properties
| ATC_suffix =
| Formula = C<sub>12</sub>H<sub>24</sub>O<sub>6</sub>
| ATC_supplemental =
| MolarMass = 264.122 g/mol
| PubChem = 25068278
| Density = 1.237 g/cm³
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| MeltingPt = 37–40&nbsp;°C
| DrugBank =
| BoilingPt = 116&nbsp;°C (0.2 Torr)
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
}}
| ChemSpiderID = 21475142
| Section8 = {{Chembox Related

| OtherCpds = ]<br />]}}
<!--Chemical data-->
| chemical_formula =
| C=25 | H=34 | O=1
| molecular_weight = 350.535 g/mol
| smiles = C12CC(C1CC32CC4(3CC=C4C5=CC=CC=C5)C)O
| InChI = 1/C25H34O/c1-24-14-12-19(26)16-18(24)8-9-20-22-11-10-21(17-6-4-3-5-7-17)25(22,2)15-13-23(20)24/h3-7,10,18-20,22-23,26H,8-9,11-16H2,1-2H3/t18-,19+,20-,22-,23-,24-,25+/m0/s1
| InChIKey = SINAMTXBCYKFDL-WBJZGETLBO
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C25H34O/c1-24-14-12-19(26)16-18(24)8-9-20-22-11-10-21(17-6-4-3-5-7-17)25(22,2)15-13-23(20)24/h3-7,10,18-20,22-23,26H,8-9,11-16H2,1-2H3/t18-,19+,20-,22-,23-,24-,25+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = SINAMTXBCYKFDL-WBJZGETLSA-N
| synonyms = (3α,5α)-17-Phenyl-androst-16-en-3-ol
}} }}

Revision as of 16:51, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 473930818 of page 18-Crown-6 with values updated to verified values.
18-Crown-6
Skeletal formula
Ball-and-stick model
Names
IUPAC name 1,4,7,10,13,16-hexaoxacyclooctadecane
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2Key: XEZNGIUYQVAUSS-UHFFFAOYSA-N
  • InChI=1/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2Key: XEZNGIUYQVAUSS-UHFFFAOYAP
SMILES
  • O1CCOCCOCCOCCOCCOCC1
  • C1COCCOCCOCCOCCOCCO1
Properties
Chemical formula C12H24O6
Molar mass 264.122 g/mol
Density 1.237 g/cm³
Melting point 37–40 °C
Boiling point 116 °C (0.2 Torr)
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound