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Revision as of 14:10, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 452560889 of page Trimeperidine for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 14:10, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 458204211 of page Trimesic_acid for the Chem/Drugbox validation project (updated: '').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
| Verifiedfields = changed
| verifiedrevid = 447989848 | verifiedrevid = 419117422
| IUPAC_name = (2S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl propionate
| image = 2D structure of Trimeperidine.svg | ImageFile = Trimesic acid.svg
| width = 160 | ImageSize = 180px
| ImageName = Skeletal formula

| ImageFile1 = Trimesic-acid-3D-balls.png
<!--Clinical data-->
| ImageSize1 = 200px
| tradename =
| ImageName1 = Ball-and-stick model
| Drugs.com = {{drugs.com|international|trimeperidine}}
| IUPACName = benzene-1,3,5-tricarboxylic acid
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| OtherNames =
| pregnancy_US = <!-- A / B / C / D / X -->
|Section1={{Chembox Identifiers
| pregnancy_category =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
⚫ | ChemSpiderID = 10665
| legal_CA = <!-- Schedule I -->
| InChI = 1/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
| legal_UK = <!-- Class A -->
| InChIKey = QMKYBPDZANOJGF-UHFFFAOYAC
| legal_US = <!-- Schedule I -->
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| legal_status =
| ChEMBL = 77562
| routes_of_administration =

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

<!--Identifiers-->
| CAS_number = <!-- blanked - oldvalue: 64-39-1 -->
| ATC_prefix = none
| ATC_suffix =
⚫ | PubChem = 6148
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | DrugBank =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 16736164
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 1M2IB31DTS

<!--Chemical data-->
| C=17 | H=25 | N=1 | O=2
| molecular_weight = 275.39 g/mol
| smiles = C1CN(C)(C)C1(OC(=O)CC)c2ccccc2
| InChI = 1/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2/h6-10,13-14H,5,11-12H2,1-4H3/t13-,14+,17+/m1/s1
| InChIKey = UVITTYOJFDLOGI-KEYYUXOJBX
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2/h6-10,13-14H,5,11-12H2,1-4H3/t13-,14+,17+/m1/s1 | StdInChI = 1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = UVITTYOJFDLOGI-KEYYUXOJSA-N | StdInChIKey = QMKYBPDZANOJGF-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| synonyms = Trimeperidine, Promadol
| CASNo=554-95-0
| EINECS = 209-077-7
⚫ | PubChem=11138
⚫ | DrugBank_Ref = {{drugbankcite|changed|drugbank}}
⚫ | DrugBank = DB08632
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 46032
| SMILES = c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O
}}
|Section2={{Chembox Properties
| Formula=C<sub>9</sub>H<sub>6</sub>O<sub>6</sub>
| MolarMass=210.14034
| Appearance=
| Density=
| MeltingPt=
| BoilingPt=
| pKa=3.12, 3.89, 4.70<ref>Brown, H.C., et al., in Baude, E.A. and Nachod, F.C., ''Determination of Organic Structures by Physical Methods'', Academic Press, New York, 1955.</ref>
| Solubility=
}}
|Section3={{Chembox Hazards
| ExternalMSDS =
| RPhrases = {{ R36}} {{R37}} {{R38}}
| Autoignition=
}}
}} }}

Revision as of 14:10, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 458204211 of page Trimesic_acid with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula
Ball-and-stick model
Names
IUPAC name benzene-1,3,5-tricarboxylic acid
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
EC Number
  • 209-077-7
PubChem CID
InChI
  • InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)Key: QMKYBPDZANOJGF-UHFFFAOYSA-N
  • InChI=1/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)Key: QMKYBPDZANOJGF-UHFFFAOYAC
SMILES
  • c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O
Properties
Chemical formula C9H6O6
Molar mass 210.14034
Acidity (pKa) 3.12, 3.89, 4.70
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. Brown, H.C., et al., in Baude, E.A. and Nachod, F.C., Determination of Organic Structures by Physical Methods, Academic Press, New York, 1955.