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Revision as of 12:36, 24 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 400314321 of page Migrastatin for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit Revision as of 12:38, 24 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 460463385 of page Milrinone 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|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 = 400312989 | verifiedrevid = 414088890
| Name = '''Migrastatin'''
| IUPAC_name = 2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile
| ImageFile = Migrastatin.svg
| image = Milrinone.svg
| ImageName = Migrastatin

| Section1 = {{Chembox Identifiers
<!--Clinical data-->
| InChI = 1/C27H39NO7/c1-17-14-18(2)27(35-25(32)13-8-6-5-7-12-22(34-4)26(17)33)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14-/t17-,19-,22+,26+,27+/m1/s1
| tradename =
| InChIKey = OGYMUMAKGYYNHV-IJMHZYIBBB
| Drugs.com = {{drugs.com|monograph|milrinone-lactate}}
| MedlinePlus = a601020
| pregnancy_US = C
| legal_status = Rx-only
| routes_of_administration = IV only

<!--Pharmacokinetic data-->
| bioavailability = 100% (as IV bolus, infusion)
| protein_bound = 70 to 80%
| metabolism = Hepatic (12%)
| elimination_half-life = 2.3 hours (mean, in CHF)
| excretion = Urine (85% as unchanged drug) within 24 hours

<!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 78415-72-2
| ATC_prefix = C01
| ATC_suffix = CE02
| ATC_supplemental =
| PubChem = 4197
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB00235
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 4052
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = JU9YAX04C7
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D00417
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 50693
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 189

<!--Chemical data-->
| C=12 | H=9 | N=3 | O=1
| molecular_weight = 211.219 g/mol
| smiles = Cc1c(cc(c(=O)1)C#N)c2ccncc2
| InChI = 1/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
| InChIKey = PZRHRDRVRGEVNW-UHFFFAOYAY
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
| StdInChI = 1S/C27H39NO7/c1-17-14-18(2)27(35-25(32)13-8-6-5-7-12-22(34-4)26(17)33)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14-/t17-,19-,22+,26+,27+/m1/s1
| SMILES = C1/C=C(\(OC(=O)/C=C/CC/C=C/(1O)OC)(C)C(=O)CCCC2CC(=O)NC(=O)C2)/C
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = OGYMUMAKGYYNHV-IJMHZYIBSA-N | StdInChIKey = PZRHRDRVRGEVNW-UHFFFAOYSA-N
| density = 1.344
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEMBL = 474321 | melting_point = 315
| boiling_point = 449
⚫ | ChemSpiderID=21106454
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>27</sub>H<sub>39</sub>NO<sub>7</sub>
| MolarMass = 489.60 g/mol}}
}} }}

Revision as of 12:38, 24 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 460463385 of page Milrinone with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
AHFS/Drugs.comMonograph
MedlinePlusa601020
Routes of
administration		IV only
ATC code
Legal status
Legal status
  • In general: ℞ (Prescription only)
Pharmacokinetic data
Bioavailability100% (as IV bolus, infusion)
Protein binding70 to 80%
MetabolismHepatic (12%)
Elimination half-life2.3 hours (mean, in CHF)
ExcretionUrine (85% as unchanged drug) within 24 hours
Identifiers
IUPAC name
  • 2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
Chemical and physical data
FormulaC12H9N3O
Molar mass211.219 g/mol g·mol
3D model (JSmol)
Density1.344 g/cm
Melting point315 °C (599 °F)
Boiling point449 °C (840 °F)
SMILES
  • Cc1c(cc(c(=O)1)C#N)c2ccncc2
InChI
  • InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
  • Key:PZRHRDRVRGEVNW-UHFFFAOYSA-N
  (what is this?)  (verify)