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Revision as of 13:28, 23 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,044 edits Saving copy of the {{drugbox}} taken from revid 456542026 of page Masoprocol for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEMBL').← Previous edit Revision as of 13:29, 23 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,044 edits Saving copy of the {{chembox}} taken from revid 456761507 of page Matairesinol 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
| Verifiedfields = changed | Verifiedfields = changed
| verifiedrevid = 402381398 | verifiedrevid = 400294983
| Reference = <ref> at ]</ref>
| IUPAC_name = 4-benzene-1,2-diol
| image = Masoprocol.svg | Name = Matairesinol
| ImageFile = Matairesinol.png

| ImageSize = 200px
<!--Clinical data-->
| ImageName = Chemical structure of matairesinol
| tradename =
| IUPACName = (3''R'',4''R'')-3,4-bisoxolan-2-one
| Drugs.com = {{drugs.com|CONS|masoprocol}}
| OtherNames = (αR,βR)-α,β-Bis(4-hydroxy-3-methoxybenzyl)butyrolactone
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
|Section1= {{Chembox Identifiers
| pregnancy_US = B
| pregnancy_category =
| legal_AU = <!-- Unscheduled / S2 / S4 / S8 -->
| legal_UK = <!-- GSL / P / POM / CD -->
| legal_US = <!-- OTC / Rx-only -->
| legal_status =
| routes_of_administration = ]

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

<!--Identifiers-->
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 500-38-9
| ATC_prefix = L01
| ATC_suffix = XX10
| ATC_supplemental =
⚫ | PubChem = 71398
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | DrugBank = DB00179
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 64490 | ChemSpiderID = 106491
⚫ | InChI = 1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
⚫ | UNII_Ref = {{fdacite|changed|FDA}}
| InChIKey = MATGKVZWFZHCLI-LSDHHAIUBP
| UNII = 7BO8G1BYQU
| ChEMBL_Ref = {{ebicite|changed|EBI}}
⚫ | ChEMBL = <!-- blanked - oldvalue: 313972 -->
⚫ | C=18 | H=22 | O=4
| molecular_weight = 302.365 g/mol
| smiles = Oc1ccc(cc1O)C(C)(C)Cc2ccc(O)c(O)c2
⚫ | InChI = 1/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
| InChIKey = HCZKYJDFEPMADG-TXEJJXNPBW
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+ | StdInChI = 1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = HCZKYJDFEPMADG-TXEJJXNPSA-N | StdInChIKey = MATGKVZWFZHCLI-LSDHHAIUSA-N
| InChIKey1 = MATGKVZWFZHCLI-LSDHHAIUSA-N
⚫ | CASNo = <!-- blanked - oldvalue: 580-72-3 -->
⚫ | CASNo_Ref = {{cascite|correct|??}}=
| CASOther =
⚫ | PubChem = 119205
⚫ | ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = 425148
⚫ | DrugBank_Ref = {{drugbankcite|changed|drugbank}}
⚫ | DrugBank = DB04200
| SMILES = O=C2OC(Cc1cc(OC)c(O)cc1)2Cc3ccc(O)c(OC)c3
| InChI =
| MeSHName =
}}
|Section2= {{Chembox Properties
⚫ | C=20|H=22|O=6
| ExactMass = 358.141638 u
| Appearance =
| Density =
| MeltingPt = <!-- °C -->
| BoilingPt = <!-- °C -->
| Solubility =
}}
}} }}

Revision as of 13:29, 23 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 456761507 of page Matairesinol with values updated to verified values.
Matairesinol
Chemical structure of matairesinol
Chemical structure of matairesinol
Names
IUPAC name (3R,4R)-3,4-bisoxolan-2-one
Other names (αR,βR)-α,β-Bis(4-hydroxy-3-methoxybenzyl)butyrolactone
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
DrugBank
PubChem CID
InChI
  • InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1Key: MATGKVZWFZHCLI-LSDHHAIUSA-N
  • Key: MATGKVZWFZHCLI-LSDHHAIUBP
  • Key: MATGKVZWFZHCLI-LSDHHAIUSA-N
SMILES
  • O=C2OC(Cc1cc(OC)c(O)cc1)2Cc3ccc(O)c(OC)c3
Properties
Chemical formula C20H22O6
Molar mass 358.390 g·mol
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. Matairesinol at Sigma-Aldrich