Misplaced Pages

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

Article snapshot taken from Wikipedia with creative commons attribution-sharealike license. Give it a read and then ask your questions in the chat. We can research this topic together.
< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively← Previous editNext edit →Content deleted Content addedVisualWikitext
Revision as of 05:10, 17 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 470086143 of page Alfacalcidol for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit Revision as of 05:10, 17 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 448206012 of page Alfadolone for the Chem/Drugbox validation project (updated: 'CAS_number').Next edit →
Line 1: Line 1:
{{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
| Verifiedfields = changed | Watchedfields = changed
| verifiedrevid = 456678726 | verifiedrevid = 444273771
| IUPAC_name = (3''R'',5''S'',9''S'',14''S'')-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopentaphenanthren-11-one
|ImageFile=alfacalcidol.png
| image = Alphadolone.svg
|ImageSize=200px

|IUPACName=(1''R'',3''S'',5''Z'')-5--2,3,3a,5,6,7-hexahydro-1''H''-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
<!--Clinical data-->
|OtherNames=Alphacalcidol; 1-Hydroxycholecalciferol
| tradename =
|Section1={{Chembox Identifiers
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
| pregnancy_US = <!-- A / B / C / D / X -->
⚫ | UNII = URQ2517572
| pregnancy_category =
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = <!-- blanked - oldvalue: 32540 --> | legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| InChI = 1/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| InChIKey = OFHCOWSQAMBJIW-AVJTYSNKBM
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status =
| routes_of_administration = ]

<!--Pharmacokinetic data-->
| bioavailability =
| protein_bound =
| metabolism =
| elimination_half-life =
| excretion =

<!--Identifiers-->
| CAS_number = <!-- blanked - oldvalue: 14107-37-0 -->
| ATC_prefix = none
| ATC_suffix =
⚫ | PubChem = 71680
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | DrugBank =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 7974182
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
⚫ | UNII = OE1C96974E

<!--Chemical data-->
| C=21 | H=32 | O=4
| molecular_weight = 348.476 g/mol
| smiles = O=C23(1CC(C(=O)CO)1(C)C2)CC4C(O)CC34C
| InChI = 1/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,19+,20-,21-/m0/s1
| InChIKey = XWYBFXIUISNTQG-VKMGZQQJBP
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1 | StdInChI = 1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,19+,20-,21-/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = OFHCOWSQAMBJIW-AVJTYSNKSA-N | StdInChIKey = XWYBFXIUISNTQG-VKMGZQQJSA-N
| synonyms = 3α,21-dihydroxy-5α-pregnane-11,20-dione
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo=41294-56-8
⚫ | PubChem=5282181
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 4445376
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D01518
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | DrugBank = DB01436
| SMILES = O1CC(\C(=C)(O)C1)=C\C=C2/CCC3(2CC3(C)CCCC(C)C)C
| ATCCode_prefix = A11
| ATCCode_suffix = CC03
}}
|Section2={{Chembox Properties
| Formula=C<sub>27</sub>H<sub>44</sub>O<sub>2</sub>
| MolarMass=400.64 g/mol
| Appearance=
| Density=
| MeltingPt=
| BoilingPt=
| Solubility=
}}
|Section3={{Chembox Hazards
| MainHazards=
| FlashPt=
| Autoignition=
}}
}} }}

Revision as of 05:10, 17 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 448206012 of page Alfadolone with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other names3α,21-dihydroxy-5α-pregnane-11,20-dione
Routes of
administration		Intravenous
ATC code
  • none
Identifiers
IUPAC name
  • (3R,5S,9S,14S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopentaphenanthren-11-one
PubChem CID
ChemSpider
UNII
Chemical and physical data
FormulaC21H32O4
Molar mass348.476 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C23(1CC(C(=O)CO)1(C)C2)CC4C(O)CC34C
InChI
  • InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,19+,20-,21-/m0/s1
  • Key:XWYBFXIUISNTQG-VKMGZQQJSA-N
  (verify)