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Revision as of 12:41, 24 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 457167034 of page Mitoxantrone for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit Revision as of 12:41, 24 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 431019204 of page Mitragynine for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').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
⚫ | verifiedrevid = 400314315
| Verifiedfields = changed
| ImageFile = Mitragynine.png
⚫ | verifiedrevid = 414758221
| ImageSize =
| IUPAC_name = 1,4-dihydroxy-5,8-bis-anthracene-9,10-dione
| IUPACName = (E)-2-quinolizin-2-yl]-3- methoxyprop-2-enoic acid methyl ester
| image = Mitoxantrone skeletal.svg
| OtherNames =

| Section1 = {{Chembox Identifiers
<!--Clinical data-->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| tradename = Novantrone
⚫ | ChemSpiderID = 2298865
| Drugs.com = {{drugs.com|monograph|mitoxantrone-hydrochloride}}
| InChI = 1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
| MedlinePlus = a608019
| InChIKey = LELBFTMXCIIKKX-QVRQZEMUBK
| pregnancy_US = D
| legal_status = Rx-only
| routes_of_administration = '''Exclusively''' ]

<!--Pharmacokinetic data-->
| bioavailability = n/a
| protein_bound = 78%
| metabolism = ] (])
| elimination_half-life = 75 hours
| excretion = ]

<!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 65271-80-9
| ATC_prefix = L01
| ATC_suffix = DB07
⚫ | PubChem = 4212
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB01204
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 4067
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = BZ114NVM5P
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D08224
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 50729
| ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | ChEMBL = 58

<!--Chemical data-->
| C=22 | H=28 | N=4 | O=6
| molecular_weight = 444.481 ]/]
| smiles = O=C2c1c(c(NCCNCCO)ccc1NCCNCCO)C(=O)c3c2c(O)ccc3O
| InChI = 1/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
| InChIKey = KKZJGLLVHKMTCM-UHFFFAOYAS
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2 | StdInChI = 1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = KKZJGLLVHKMTCM-UHFFFAOYSA-N | StdInChIKey = LELBFTMXCIIKKX-QVRQZEMUSA-N
| CASNo = <!-- blanked - oldvalue: 6202-22-8 -->
⚫ | ChEMBL = 299031
⚫ | PubChem = 3034396
| SMILES = O=C(OC)\C(=C\OC)4C3c2nc1cccc(OC)c1c2CCN3C4CC
}}
| Section2 = {{Chembox Properties
| Formula=C<sub>23</sub>H<sub>30</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass=398.4953
| Appearance=
| Density=
| MeltingPt=
| BoilingPt=
| Solubility=
}}
| Section3 = {{Chembox Hazards
| MainHazards=
| FlashPt=
| Autoignition=
}}
}} }}

Revision as of 12:41, 24 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 431019204 of page Mitragynine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name (E)-2-quinolizin-2-yl]-3- methoxyprop-2-enoic acid methyl ester
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1Key: LELBFTMXCIIKKX-QVRQZEMUSA-N
  • InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1Key: LELBFTMXCIIKKX-QVRQZEMUBK
SMILES
  • O=C(OC)\C(=C\OC)4C3c2nc1cccc(OC)c1c2CCN3C4CC
Properties
Chemical formula C23H30N2O4
Molar mass 398.4953
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound