Misplaced Pages

:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions - Misplaced Pages

Article snapshot taken from Wikipedia with creative commons attribution-sharealike license. Give it a read and then ask your questions in the chat. We can research this topic together.
< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively← Previous editNext edit →Content deleted Content addedVisualWikitext
Revision as of 11:05, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 464233702 of page Methylprednisolone for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit Revision as of 11:07, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464369893 of page Aspartic_acid for the Chem/Drugbox validation project (updated: '').Next edit →
Line 1: Line 1:
{{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 = 443401656
| Verifiedfields = changed
| Name = Aspartic acid
⚫ | verifiedrevid = 458948194
| ImageFile = Asparaginsäure - Aspartic acid.svg
| IUPAC_name = (1''S'',2''R'',8''S'',10''S'',11''S'',14''R'',15''S'',17''S'')-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,8,15-trimethyltetracycloheptadeca-3,6-dien-5-one
| ImageName = Skeletal formula
| image = Methylprednisolone.svg
| image2 = Methylprednisolone.png | ImageFile1 = L-aspartic-acid-3D-balls.png
| ImageSize1 = 180

| ImageName1 = Ball-and-stick model of the L-isomer
<!--Clinical data-->
| IUPACName = ''Trivial:'' Aspartic acid <br> ''Systematic:'' 2-Aminobutanedioic acid
| tradename = Medrol, Meprolone
| OtherNames = Aminosuccinic acid, asparagic acid, asparaginic acid<ref name=merck>{{cite book |title= The Merck Index |chapter= 862. Aspartic acid |edition= 11th |page= 132 |year= 1989 |isbn= 091191028X}}</ref>
| Drugs.com = {{drugs.com|monograph|methylprednisolone}}
| Section1 = {{Chembox Identifiers
| MedlinePlus = a682795
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
| licence_US = Methylprednisolone
⚫ | UNII = 28XF4669EP
| pregnancy_AU = A
| pregnancy_US = C
| legal_UK = POM
| legal_US = Rx-only
| routes_of_administration = IV, IM, IV Infusion, Oral, Rectal, Topical

<!--Pharmacokinetic data-->
| protein_bound = 78%
| metabolism = liver primarily, kidney, tissues; CYP450: 3A4 substrate
| elimination_half-life = urine; Half-life: 18-26h (biological)

<!--Identifiers-->
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 83-43-2
| ATC_prefix = D07
| ATC_suffix = AA01
| ATC_supplemental = {{ATC|D07|AC14}}, {{ATC|D10|AA02}}, {{ATC|H02|AB04}}
⚫ | PubChem = 6741
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| DrugBank = DB00959
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 6485
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
⚫ | UNII = X4W7ZR7023
⚫ | KEGG_Ref = {{keggcite|correct|kegg}}
⚫ | KEGG = D00407
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | ChEBI = 6888
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 650 | ChEMBL = 139661
⚫ | KEGG_Ref = {{keggcite|correct|kegg}}

⚫ | KEGG = C16433
<!--Chemical data-->
| InChI = 1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
⚫ | C=22 | H=30 | O=5
| InChIKey = CKLJMWTZIZZHCS-UHFFFAOYAE
| molecular_weight = 374.471 g/mol
| SMILES1 = C(C(C(=O)O)N)C(=O)O
| smiles = O=C\1\C=C/4(/C(=C/1)(C)C24(O)C3((O)(C(=O)CO)CC23)C)C
| InChI = 1/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
| InChIKey = VHRSUDSXCMQTMA-PJHHCJLFBP
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
| StdInChI = 1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = VHRSUDSXCMQTMA-PJHHCJLFSA-N | StdInChIKey = CKLJMWTZIZZHCS-UHFFFAOYSA-N
| CASNo = 617-45-8
| synonyms = (6α, 11β)-11,17,21-trihydroxy-6-methyl-pregna-1,4-diene-3,20-dione
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| CASOther = <br/>56-84-8 (<small>L</small>-isomer)<br/>1783-96-6 (<small>D</small>-isomer) <!-- also verified at CAS Common Chemistry -->
| EC-number = 200-291-6
⚫ | PubChem = 424
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 411
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | ChEBI = 22660
| SMILES = O=C(O)CC(N)C(=O)O
}}
| Section2 = {{Chembox Properties
⚫ | C=4 | H=7 | N=1 | O=4
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section7 = {{Chembox Hazards
| EUIndex = not listed
| FlashPt =
| Autoignition =
}}
}} }}

Revision as of 11:07, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 464369893 of page Aspartic_acid with values updated to verified values.
Aspartic acid
Skeletal formula
Ball-and-stick model of the L-isomer
Names
IUPAC names Trivial: Aspartic acid
Systematic: 2-Aminobutanedioic acid
Other names Aminosuccinic acid, asparagic acid, asparaginic acid
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
KEGG
PubChem CID
UNII
InChI
  • InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)Key: CKLJMWTZIZZHCS-UHFFFAOYSA-N
  • InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)Key: CKLJMWTZIZZHCS-UHFFFAOYAE
SMILES
  • O=C(O)CC(N)C(=O)O
  • C(C(C(=O)O)N)C(=O)O
Properties
Chemical formula C4H7NO4
Molar mass 133.103 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
  1. "862. Aspartic acid". The Merck Index (11th ed.). 1989. p. 132. ISBN 091191028X.