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Revision as of 13:50, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456833813 of page Selamectin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').← Previous edit Revision as of 13:51, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 459118662 of page Selegiline for the Chem/Drugbox validation project (updated: 'DrugBank').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|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{Drugbox
| Verifiedfields = changed | Verifiedfields = changed
| verifiedrevid = 401050240 | verifiedrevid = 457464942
| IUPAC_name = (''R'')-''N''-methyl-''N''-(1-phenylpropan-2-yl)prop-1-yn-3-amine
| IUPAC_name =
| image = Selamectin Structural Formulae V.1.svg | image = Selegilin-Structural Formulae.png
| image2 = Selamectin_sf.gif | image2 = Selegiline-3D-balls.png


<!--Clinical data--> <!--Clinical data-->
| tradename = Revolution, Stronghold | tradename = Eldepryl
| Drugs.com = {{drugs.com|international|selamectin}} | Drugs.com = {{drugs.com|monograph|selegiline-hydrochloride}}
| MedlinePlus = a697046
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
⚫ | pregnancy_category = C <small>(])</small>
| pregnancy_US = <!-- A / B / C / D / X -->
| legal_status = prescription only (unscheduled) <small>(])</small>
⚫ | pregnancy_category =
⚫ | routes_of_administration = Oral, ], ]
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status =
⚫ | routes_of_administration = Topical


<!--Pharmacokinetic data--> <!--Pharmacokinetic data-->
| bioavailability = | bioavailability = 4.4% (oral, fasted), 20% (oral, after food), 18% (patch)
| protein_bound = | protein_bound = 90%
| metabolism = | metabolism = liver
| elimination_half-life = | elimination_half-life = 1.5 hours (oral, single dose), 9 hours (oral, chronic)
| excretion = | excretion = urine


<!--Identifiers--> <!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}} | CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = <!-- blanked - oldvalue: 165108-07-6 --> | CAS_number = 14611-51-9
| CAS_supplemental = | CAS_supplemental = <small>(HCl)</small>
| ATCvet = yes | ATC_prefix = N04
| ATC_prefix = P54 | ATC_suffix = BD01
⚫ | ATC_supplemental = {{ATCvet|N06|AX90}}
| ATC_suffix = AA05
⚫ | PubChem = 26757
⚫ | ATC_supplemental =
⚫ | DrugBank_Ref = {{drugbankcite|changed|drugbank}}
⚫ | PubChem = 9578507
⚫ | DrugBank = DB01037
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | DrugBank =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 16739776 | ChemSpiderID = 24930
| UNII_Ref = {{fdacite|changed|FDA}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = A2669OWX9N | UNII = 2K1V7GP655
| ChEMBL_Ref = {{ebicite|changed|EBI}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D03731
| ChEMBL = <!-- blanked - oldvalue: 160777 -->
| ChEBI_Ref = {{ebicite|correct|EBI}}
| chemical_formula =
| ChEBI = 9086
⚫ | C=43 | H=63 | N=1 | O=11
| ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | molecular_weight = 769.96 g/mol
| ChEMBL = 972
| smiles = CC1CCC2(CC3CC(O2)CC= C(C(C(C=CC=C4COC5C4(C(C= C(C5=NO)C)C(=O)O3)O)C) OC6CC(C(C(O6)C)O) OC)C)OC1C7CCCCC7

| InChI = 1/C49H74O14/c1-12-26(2)43-29(5)18-19-48(63-43)24-35-21-34(62-48)17-16-28(4)42(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)41(50)31(7)57-39)27(3)14-13-15-33-25-56-46-44(55-11)30(6)20-36(47(51)59-35)49(33,46)52/h13-16,18-20,26-27,29,31-32,34-46,50,52H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42?,43+,44+,45?,46+,48+,49+/m0/s1
<!--Chemical data-->
| InChIKey = AFSHKCWTGFDXJR-JQPIHPQKBM
⚫ | C=13 | H=17 | N=1
⚫ | molecular_weight = 187.281 g/mol
| smiles = C#CCN((Cc1ccccc1)C)C
| InChI = 1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
| InChIKey = MEZLKOACVSPNER-GFCCVEGCBI
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
| StdInChI = 1S/C49H74O14/c1-12-26(2)43-29(5)18-19-48(63-43)24-35-21-34(62-48)17-16-28(4)42(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)41(50)31(7)57-39)27(3)14-13-15-33-25-56-46-44(55-11)30(6)20-36(47(51)59-35)49(33,46)52/h13-16,18-20,26-27,29,31-32,34-46,50,52H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42?,43+,44+,45?,46+,48+,49+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = AFSHKCWTGFDXJR-JQPIHPQKSA-N | StdInChIKey = MEZLKOACVSPNER-GFCCVEGCSA-N
}} }}

Revision as of 13:51, 6 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 459118662 of page Selegiline with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Trade namesEldepryl
AHFS/Drugs.comMonograph
MedlinePlusa697046
Pregnancy
category
Routes of
administration		Oral, transdermal, buccal
ATC code
Legal status
Legal status
  • prescription only (unscheduled) (US)
Pharmacokinetic data
Bioavailability4.4% (oral, fasted), 20% (oral, after food), 18% (patch)
Protein binding90%
Metabolismliver
Elimination half-life1.5 hours (oral, single dose), 9 hours (oral, chronic)
Excretionurine
Identifiers
IUPAC name
  • (R)-N-methyl-N-(1-phenylpropan-2-yl)prop-1-yn-3-amine
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
Chemical and physical data
FormulaC13H17N
Molar mass187.281 g/mol g·mol
3D model (JSmol)
SMILES
  • C#CCN((Cc1ccccc1)C)C
InChI
  • InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
  • Key:MEZLKOACVSPNER-GFCCVEGCSA-N
  (what is this?)  (verify)