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Revision as of 14:35, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 463589302 of page Tubocurarine_chloride for the Chem/Drugbox validation project (updated: 'DrugBank', 'UNII', 'ChEMBL', 'CAS_number').← Previous edit Revision as of 14:36, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 470546122 of page Tuftsin for the Chem/Drugbox validation project (updated: '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 = 444238690
| Verifiedfields = changed
|ImageFile=Tuftsin.svg
⚫ | verifiedrevid = 458273418
|ImageSize=250px
| IUPAC_name = 6,6'-dimethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium-7',12'-diol
|IUPACName=
| image = Tubocurarine.svg
|OtherNames=
| image2 = Tubocurarine-3D-sticks.png
|Section1= {{Chembox Identifiers
| width2 = 150
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}

⚫ | ChemSpiderID = 21106486
<!--Clinical data-->
| InChI = 1/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13?,14?,15+,16?/m1/s1
| tradename =
| InChIKey = IESDGNYHXIOKRW-GVNIGQRWBS
| Drugs.com = {{drugs.com|international|tubocurarine-chloride}}
| MedlinePlus = a682860
| pregnancy_category =
| legal_status = worldwide: prescription only medicine
| routes_of_administration = I.V.

<!--Pharmacokinetic data-->
| bioavailability = 100% (IV)
| protein_bound = 50%
| metabolism =
| elimination_half-life = 1-2 hours

<!--Identifiers-->
| CASNo_Ref = {{cascite}}
| CAS_number_Ref = {{cascite|changed|??}}
⚫ | CAS_number = <!-- blanked - oldvalue: 57-95-4 -->
| CAS_supplemental = (chloride hydrochloride) 6989-98-6 (chloride hydrochloride pentahydrate)
| ATC_prefix = M03
| ATC_suffix = AA02
| ATC_supplemental =
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 9774
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1 | StdInChI = 1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13?,14?,15+,16?/m1/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = JFJZZMVDLULRGK-URLMMPGGSA-O | StdInChIKey = IESDGNYHXIOKRW-GVNIGQRWSA-N
⚫ | CASNo = <!-- blanked - oldvalue: 9063-57-4 -->
| PubChem = 6000 | PubChem=24780
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
| DrugBank = DB01199
| UNII = QF5336J16C
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| SMILES = O=C(NC(CCCNC(N)=N)C(O)=O)1CCCN1C(=O)C(CCCCN)NC(=O)C(N)(C)O
⚫ | ChemSpiderID = 5778
| MeSHName=Tuftsin
| UNII_Ref = {{fdacite|changed|FDA}}
}}
| UNII = <!-- blanked - oldvalue: 900961Z8VR -->
|Section2= {{Chembox Properties
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| Formula=C<sub>21</sub>H<sub>40</sub>N<sub>8</sub>O<sub>6</sub>
| ChEMBL = <!-- blanked - oldvalue: 1687 -->
| MolarMass=500.593 g/mol
| C=37 | H=42 | Cl=2 | N=2 | O=6
| Appearance=
| molecular_weight = 624.765 g/mol
| Density=
| smiles = Oc7ccc1cc7Oc5cc6(Cc4ccc(Oc2c3(C1)(C)(C)CCc3cc(OC)c2O)cc4)(C)(C)CCc6cc5OC
| MeltingPt=
| synonyms = <small>(1''S'',16''R'')-9,21-dihydroxy-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-15,30-diazaheptacyclohexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaene-15,30-diium</small>
| BoilingPt=
| Solubility=
}}
|Section3= {{Chembox Hazards
| MainHazards=
| FlashPt=
| Autoignition=
}}
}} }}

Revision as of 14:36, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 470546122 of page Tuftsin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
3D model (JSmol)
ChemSpider
MeSH Tuftsin
PubChem CID
UNII
InChI
  • InChI=1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13?,14?,15+,16?/m1/s1Key: IESDGNYHXIOKRW-GVNIGQRWSA-N
  • InChI=1/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13?,14?,15+,16?/m1/s1Key: IESDGNYHXIOKRW-GVNIGQRWBS
SMILES
  • O=C(NC(CCCNC(N)=N)C(O)=O)1CCCN1C(=O)C(CCCCN)NC(=O)C(N)(C)O
Properties
Chemical formula C21H40N8O6
Molar mass 500.593 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound