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Revision as of 14:22, 5 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457073395 of page Prodigiosin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit Revision as of 14:23, 5 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 458438235 of page Prodine for the Chem/Drugbox validation project (updated: '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
| Verifiedfields = changed
| verifiedrevid = 400862690 | verifiedrevid = 458437197
|ImageFile=Prodigiosin.svg
| IUPAC_name = (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate
|ImageSize=
| image = Alphaprodine.svg
|IUPACName=4-methoxy-5--1''H'',1′''H''-2,2′-bipyrrole
| width = 160
|OtherNames=

|Section1= {{Chembox Identifiers
<!--Clinical data-->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| tradename =
⚫ | ChemSpiderID = 10577755
| ChEMBL = <!-- blanked - oldvalue: 275787 --> | pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
| InChI = 1/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,21,23H,4-6,8H2,1-3H3/b16-12+
| pregnancy_category =
| InChIKey = SZXDNGVQRDTJSD-FOWTUZBSBS
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| legal_CA = <!-- Schedule I -->
| legal_UK = <!-- Class A -->
| legal_US = Schedule II
| legal_status =
| routes_of_administration =

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

<!--Identifiers-->
| CAS_number_Ref = {{cascite|changed|??}}
⚫ | CAS_number = <!-- blanked - oldvalue: 77-20-3 -->
| CAS_supplemental = <br />{{CAS|468-59-7}} (beta)
| ATC_prefix = none
| ATC_suffix =
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 14309
⚫ | PubChem = 204163
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 176845

<!--Chemical data-->
| C=16 | H=23 | N=1 | O=2
| molecular_weight = 261.359 g/mol
| smiles = O=C(O2(c1ccccc1)CCN(C)C2C)CC
| InChI = 1/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16+/m1/s1
| InChIKey = UVAZQQHAVMNMHE-CJNGLKHVBH
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,21,23H,4-6,8H2,1-3H3/b16-12+ | StdInChI = 1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16+/m1/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = SZXDNGVQRDTJSD-FOWTUZBSSA-N | StdInChIKey = UVAZQQHAVMNMHE-CJNGLKHVSA-N
| synonyms =
⚫ | CASNo = <!-- blanked - oldvalue: 82-89-3 -->
⚫ | PubChem=5351169
| SMILES = C\C1=NC(\C=C1\CCCCC)=C\c2nc(cc2OC)c3cccn3
| MeSHName=Prodigiosin
}}
|Section2= {{Chembox Properties
| Formula=C<sub>20</sub>H<sub>25</sub>N<sub>3</sub>O
| MolarMass=323.432 g/mol
| Appearance=
| Density=
| MeltingPt=
| BoilingPt=
| Solubility=
}}
|Section3= {{Chembox Hazards
| MainHazards=
| FlashPt=
| Autoignition=
}}
}} }}

Revision as of 14:23, 5 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 458438235 of page Prodine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
ATC code
  • none
Legal status
Legal status
Identifiers
IUPAC name
  • (1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate
PubChem CID
ChemSpider
ChEMBL
Chemical and physical data
FormulaC16H23NO2
Molar mass261.359 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C(O2(c1ccccc1)CCN(C)C2C)CC
InChI
  • InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16+/m1/s1
  • Key:UVAZQQHAVMNMHE-CJNGLKHVSA-N
  (what is this?)  (verify)