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Revision as of 16:49, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 448094644 of page 14-Phenylpropoxymetopon for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 16:49, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 466616366 of page 15-Crown-5 for the Chem/Drugbox validation project (updated: 'ChEBI').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 = 412849651
| verifiedrevid = 457644056
| IUPAC_name = 3-hydroxy- 14-(3-phenylpropoxy)- 5-methyl- 7,8-dihydro- 4,5α-epoxy- 17-methylmorphinan- 6-one
| image = 14-phenylpropoxymetopon.svg | ImageFile = 15-crown-5 skeletal.svg
| width = 220 | ImageSize = 150
| ImageFile_Ref = {{chemboximage|correct|??}}

| ImageAlt = Skeletal formula
<!--Clinical data-->
| ImageFile1 = 15-Crown-5-3D-balls.png
| tradename =
| ImageSize1 = 170
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| ImageAlt1 = Ball-and-stick model
| pregnancy_US = <!-- A / B / C / D / X -->
| SystematicName = 1,4,7,10,13-Pentaoxacyclopentadecane<ref>{{Cite web|title = 15-crown-5 - Compound Summary|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=36336&loc=ec_rcs|work = PubChem Compound|publisher = National Center for Biotechnology Information|accessdate = 11 October 2011|location = USA|date = 16 September 2004|at = Identification and Related Records}}</ref>
| pregnancy_category =
| Section1 = {{Chembox Identifiers
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| CASNo = 33100-27-5
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| CASNo_Ref = {{cascite|correct|CAS}}
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| PubChem = 36336
| legal_US =
| PubChem_Ref = {{Pubchemcite|correct|PubChem}}
| legal_status =
| ChemSpiderID = 33416
| routes_of_administration =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}

| EINECS = 251-379-6
<!--Pharmacokinetic data-->
| MeSHName = 15-Crown-5
| bioavailability =
| ChEBI = 32401
| protein_bound =
| ChEBI_Ref = {{ebicite|changed|EBI}}
| metabolism =
| ChEMBL = 156289
| elimination_half-life =
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| excretion =
| RTECS = SB0200000

| Beilstein = 1618144
<!--Identifiers-->
| Gmelin = 3897
| CAS_number =
| SMILES = C1COCCOCCOCCOCCO1
| ATC_prefix =
| StdInChI = 1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
| ATC_suffix =
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| PubChem = 10238204
| InChI = 1/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| StdInChIKey = VFTFKUDGYRBSAL-UHFFFAOYSA-N
| DrugBank =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = VFTFKUDGYRBSAL-UHFFFAOYAH
| ChemSpiderID = 8413692
}}

| Section2 = {{Chembox Properties
<!--Chemical data-->
| C=27 | H=31 | N=1 | O=4 | C = 10
| H = 20
| molecular_weight = 433.54 g/mol
| O = 5
| smiles = C12C(=O)CC3(14CCN(3CC5=C4C(=C(C=C5)O)O2)C)OCCCC6=CC=CC=C6
| ExactMass = 220.131073750 g mol<sup>-1</sup>
| InChI = 1/C27H31NO4/c1-25-22(30)12-13-27(31-16-6-9-18-7-4-3-5-8-18)21-17-19-10-11-20(29)24(32-25)23(19)26(25,27)14-15-28(21)2/h3-5,7-8,10-11,21,29H,6,9,12-17H2,1-2H3/t21-,25+,26+,27-/m1/s1
| Appearance = Transparent liquid
| InChIKey = YLXOHYYZBORDAJ-NVSKSXHLBP
| Density = 1.113 g cm<sup>-3</sup> (at 20 °C)
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| BoilingPtC = 116
| StdInChI = 1S/C27H31NO4/c1-25-22(30)12-13-27(31-16-6-9-18-7-4-3-5-8-18)21-17-19-10-11-20(29)24(32-25)23(19)26(25,27)14-15-28(21)2/h3-5,7-8,10-11,21,29H,6,9,12-17H2,1-2H3/t21-,25+,26+,27-/m1/s1
| Boiling_notes = at 240 Pa
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| LogP = -0.639
| StdInChIKey = YLXOHYYZBORDAJ-NVSKSXHLSA-N
| RefractIndex = 1.465
| synonyms = 14-Phenylpropoxymetopon, PPOM
}}
| Section3 = {{Chembox Thermochemistry
| DeltaHf = -881.1--877.1 kJ mol<sup>-1</sup>
| DeltaHc = -5.9157--5.9129 MJ mol<sup>-1</sup>
}}
| Section4 = {{Chembox Hazards
| ExternalMSDS =
| GHSPictograms = {{GHS exclamation mark}}
| GHSSignalWord = '''WARNING'''
| HPhrases = {{H-phrases|302|315|319}}
| PPhrases = {{P-phrases|305+351+338}}
| EUClass = {{Hazchem Xn}}
| RPhrases = {{R22}}, {{R36/38}}
| SPhrases = {{S26}}
| NFPA-F = 1
| NFPA-H = 2
| NFPA-R = 0
| FlashPt = 113 °C
}}
}} }}

Revision as of 16:49, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 466616366 of page 15-Crown-5 with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula
Ball-and-stick model
Names
Systematic IUPAC name 1,4,7,10,13-Pentaoxacyclopentadecane
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1618144
ChEBI
ChEMBL
ChemSpider
EC Number
  • 251-379-6
Gmelin Reference 3897
MeSH 15-Crown-5
PubChem CID
RTECS number
  • SB0200000
InChI
  • InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2Key: VFTFKUDGYRBSAL-UHFFFAOYSA-N
  • InChI=1/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2Key: VFTFKUDGYRBSAL-UHFFFAOYAH
SMILES
  • C1COCCOCCOCCOCCO1
Properties
Chemical formula C10H20O5
Molar mass 220.265 g·mol
Appearance Transparent liquid
Density 1.113 g cm (at 20 °C)
Boiling point 116 °C (241 °F; 389 K)
log P -0.639
Refractive index (nD) 1.465
Thermochemistry
Std enthalpy of
formation (ΔfH298) 		-881.1--877.1 kJ mol
Std enthalpy of
combustion (ΔcH298) 		-5.9157--5.9129 MJ mol
Hazards
GHS labelling:
Pictograms GHS07: Exclamation mark
Signal word Warning
Hazard statements H302, H315, H319
Precautionary statements P305+P351+P338
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 1 0
Flash point 113 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. "15-crown-5 - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 16 September 2004. Identification and Related Records. Retrieved 11 October 2011.