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Revision as of 10:22, 21 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 461572631 of page Ardeparin_sodium for the Chem/Drugbox validation project (updated: 'DrugBank', 'UNII', 'ChEMBL').← Previous edit Revision as of 10:29, 21 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 461556719 of page Tacrolimus for the Chem/Drugbox validation project (updated: 'UNII', 'ChEMBL').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
| Watchedfields = changed
| verifiedrevid = 457813015
| IUPAC_name = 6-oxy-3-[5-(6-
| image = Ardeparin.png
| width = 450

<!--Clinical data-->
| tradename =
| Drugs.com = {{drugs.com|MTM|ardeparin_sodium}}
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = C
| pregnancy_category =
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status = Withdrawn
| routes_of_administration =

<!--Pharmacokinetic data-->
| bioavailability = 92%
| protein_bound =
| metabolism =
| elimination_half-life =
| excretion =

<!--Identifiers-->
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number =
| ATC_prefix = none
| ATC_suffix =
| PubChem =
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| DrugBank = <!-- blanked - oldvalue: DB00407 -->
| UNII_Ref = {{fdacite|changed|FDA}} | UNII_Ref = {{fdacite|changed|FDA}}
| UNII = WM0HAQ4WNM
| UNII = <!-- blanked - oldvalue: N3927D01PB -->
| verifiedrevid = 401617043
| IUPAC_name = 3S-<br>
,4S<sup>*</sup>,5R<sup>*</sup>,8S<sup>*</sup>,9E,12R<sup>*</sup>,14R<sup>*</sup>,15S<sup>*</sup>,16R<sup>*</sup>,18S<sup>*</sup>,19S<sup>*</sup>,26aR<sup>*</sup><br>
-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a<br>
-hexadecahydro-5, 19-dihydroxy<br>
-3-[2-(4-hydroxy-3-methoxycyclohexyl)<br>
-1-methylethenyl]-14,16-dimethoxy<br>
-4,10,12,18-tetramethyl-8-(2-propenyl)<br>
-15,19-epoxy-3H-pyrido oxaazacyclotricosine-1,7,20,21(4H,23H)<br>
-tetrone, monohydrate
| image = Tacrolimus-Armistead-2D-skeletal.png
| width = 250px
| image2 = Tacrolimus-3D-sticks.png
| width2 = 250px
| InChI = 1/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19-,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
| InChIKey = QJJXYPPXXYFBGM-LJIGMGMYBJ
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19-,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = QJJXYPPXXYFBGM-LJIGMGMYSA-N
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 104987-11-3
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 4976056
| ATC_prefix = D11
| ATC_suffix = AH01
| ATC_supplemental= {{ATC|L04|AD02}}
| PubChem = 6473866
| ChEMBL_Ref = {{ebicite|changed|EBI}} | ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = <!-- blanked - oldvalue: 1201448 --> | ChEMBL = <!-- blanked - oldvalue: 1200738 -->
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}}
| ChemSpiderID = NA | DrugBank = DB00864
| C=44 | H=69 | N=1 | O=12

| molecular_weight = 804.018 g/mol
<!--Chemical data-->
| smiles = O=C3C(=O)N1CCCC1C(=O)O(C(=C/2CC(O)(OC)C2)/C)(C)(O)CC(=O)(/C=C(/C(C(OC)4O3(O)(C)C4OC)C)C)C\C=C
| chemical_formula = (C<sub>26</sub>H<sub>40</sub>N<sub>2</sub>O<sub>36</sub>S<sub>5</sub>)<sub>n</sub>
| bioavailability = 20%, less after eating food rich in fat
| molecular_weight = 5500–6500 ] (average)
| protein_bound =75-99%
| metabolism = Hepatic ]
| elimination_half-life = 11.3 h (range 3.5-40.6 h)
| excretion = Mostly faecal
| pregnancy_category = C
| legal_status =
| routes_of_administration = Topical, oral, ]
}} }}

Revision as of 10:29, 21 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 461556719 of page Tacrolimus with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Pregnancy
category
  • C
Routes of
administration
Topical, oral, iv
ATC code
Pharmacokinetic data
Bioavailability20%, less after eating food rich in fat
Protein binding75-99%
MetabolismHepatic CYP3A4
Elimination half-life11.3 h (range 3.5-40.6 h)
ExcretionMostly faecal
Identifiers
IUPAC name
  • 3S-

    ,4S,5R,8S,9E,12R,14R,15S,16R,18S,19S,26aR
    -5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a
    -hexadecahydro-5, 19-dihydroxy
    -3-[2-(4-hydroxy-3-methoxycyclohexyl)
    -1-methylethenyl]-14,16-dimethoxy
    -4,10,12,18-tetramethyl-8-(2-propenyl)
    -15,19-epoxy-3H-pyrido oxaazacyclotricosine-1,7,20,21(4H,23H)

    -tetrone, monohydrate
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
Chemical and physical data
FormulaC44H69NO12
Molar mass804.018 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C3C(=O)N1CCCC1C(=O)O(C(=C/2CC(O)(OC)C2)/C)(C)(O)CC(=O)(/C=C(/C(C(OC)4O3(O)(C)C4OC)C)C)C\C=C
InChI
  • InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19-,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
  • Key:QJJXYPPXXYFBGM-LJIGMGMYSA-N
  (what is this?)  (verify)