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.}} |
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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.}} |
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{{Drugbox |
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{{chembox |
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| Verifiedfields = changed |
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| Verifiedfields = changed |
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| Watchedfields = changed |
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| verifiedrevid = 457644602 |
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| verifiedrevid = 457309459 |
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| 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 |
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| Name = 18-Crown-6 |
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| image = 17-Phenylandrostenol.png |
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| ImageFile = 18-crown-6.svg |
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| width = 200 |
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| ImageSize = 150px |
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| ImageName = Skeletal formula |
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<!--Clinical data--> |
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| ImageFile1 = 18-crown-6-3D-balls.png |
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| tradename = |
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| ImageName1 = Ball-and-stick model |
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| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X --> |
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| IUPACName = 1,4,7,10,13,16-hexaoxacyclooctadecane |
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| pregnancy_US = <!-- A / B / C / D / X --> |
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| Section1 = {{Chembox Identifiers |
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| pregnancy_category = |
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| InChI = 1/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2 |
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| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled--> |
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| InChIKey = XEZNGIUYQVAUSS-UHFFFAOYAP |
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| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII --> |
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| PubChem = 28557 |
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| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C --> |
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| SMILES1 = C1COCCOCCOCCOCCOCCO1 |
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| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V --> |
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| ChEMBL_Ref = {{ebicite|changed|EBI}} |
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| legal_status = |
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| ChEMBL = 155204 |
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| routes_of_administration = |
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| StdInChI_Ref = {{stdinchicite|changed|chemspider}} |
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| StdInChI = 1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2 |
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<!--Pharmacokinetic data--> |
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| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}} |
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| bioavailability = |
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| StdInChIKey = XEZNGIUYQVAUSS-UHFFFAOYSA-N |
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| protein_bound = |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| metabolism = |
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| CASNo = 17455-13-9 |
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| elimination_half-life = |
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| SMILES = O1CCOCCOCCOCCOCCOCC1 |
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| excretion = |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChEBI_Ref = {{ebicite|changed|EBI}} |
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<!--Identifiers--> |
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| ChEBI = 32397 |
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| CAS_number_Ref = {{cascite|changed|??}} |
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| ChemSpiderID = 26563 |
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| CAS_number = <!-- blanked - oldvalue: 694438-95-4 --> |
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}} |
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| ATC_prefix = |
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| Section2 = {{Chembox Properties |
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| ATC_suffix = |
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| Formula = C<sub>12</sub>H<sub>24</sub>O<sub>6</sub> |
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| ATC_supplemental = |
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| MolarMass = 264.122 g/mol |
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| PubChem = 25068278 |
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| Density = 1.237 g/cm³ |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| MeltingPt = 37–40 °C |
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| DrugBank = |
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| BoilingPt = 116 °C (0.2 Torr) |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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}} |
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| ChemSpiderID = 21475142 |
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| Section8 = {{Chembox Related |
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| OtherCpds = ]<br />]}} |
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<!--Chemical data--> |
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| chemical_formula = |
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| C=25 | H=34 | O=1 |
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| molecular_weight = 350.535 g/mol |
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| smiles = C12CC(C1CC32CC4(3CC=C4C5=CC=CC=C5)C)O |
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| 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 |
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| InChIKey = SINAMTXBCYKFDL-WBJZGETLBO |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| 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 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = SINAMTXBCYKFDL-WBJZGETLSA-N |
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| synonyms = (3α,5α)-17-Phenyl-androst-16-en-3-ol |
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}} |
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}} |