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Revision as of 12:25, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 469149157 of page Tert-Butanol for the Chem/Drugbox validation project (updated: '').← Previous edit Latest revision as of 14:25, 29 January 2022 edit undo119.246.116.98 (talk)No edit summary 
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) 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.}}
{{Chembox {{drugbox
| verifiedrevid = 477001424
| Verifiedfields = changed
| IUPAC_name = 2-Oxo-<small>L</small>-threo-hexono-1,4-lactone-2,3-enediol<br />''or''<br />(''R'')-3,4-dihydroxy-5-((''S'')- 1,2-dihydroxyethyl)furan-2(5''H'')-one
| Watchedfields = changed
| image = L-Ascorbic_acid.svg
| verifiedrevid = 412515677
| width = 200px
| Name = ''tert''-Butanol
| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
| ImageFileL1 = Tert-butanol-2D-skeletal.png
| width2 = 200px
| ImageFileL1_Ref = {{chemboximage|correct|??}}

| ImageSizeL1 = 111
<!--Clinical data-->
| ImageNameL1 = Skeletal formula of tert-butanol
| Drugs.com = {{drugs.com|MTM|vitamin_c}}
| ImageFileR1 = Tert-butanol-3D-balls.png
| licence_EU = <!-- EMEA requires brand name -->
| ImageFileR1_Ref = {{chemboximage|correct|??}}
| licence_US = <!-- FDA may use generic name -->
| ImageSizeR1 = 131
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| ImageNameR1 = Ball and stick model of tert-butanol
| pregnancy_US = <!-- A / B / C / D / X -->
| ImageFile3 = TBuOH_1133.jpg
| pregnancy_category = A
| ImageFile3_Ref = {{chemboximage|correct|??}}
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| ImageName3 = Sample of partially crystalised tert-butanol
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| IUPACName = 2-Methylpropan-2-ol<ref>{{Cite web|title = tert-Butyl Alcohol - Compound Summary|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6386&loc=ec_rcs|work = PubChem Compound|publisher = National Cnter for Biotechnology Information|accessdate = 2 November 2011|location = USA|date = 26 March 2005|at = Identification and Related Records}}</ref>
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| OtherNames = ''tert''-Butyl alcohol{{Citation needed|date = November 2011}}<br />
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
Dimethylethanol{{Citation needed|date = November 2011}}<br />
| legal_status = general public availability
1,1-Dimethylethanol{{Citation needed|date = November 2011}}<br />
| routes_of_administration = oral
2-Methyl-2-propanol{{Citation needed|date = November 2011}}

| Section1 = {{Chembox Identifiers
<!--Pharmacokinetic data-->
| CASNo = 75-65-0
| bioavailability = rapid & complete
| CASNo_Ref = {{cascite|correct|CAS}}
| protein_bound = negligible
| PubChem = 6386
| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
| PubChem_Ref = {{PubChem|correct|Pubchem}}
| ChemSpiderID = 6146 | excretion = renal

| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
<!--Identifiers-->
| UNII_Ref = {{fdacite|correct|FDA}}
| CASNo_Ref = {{cascite|correct|CAS}}
| UNII = MD83SFE959
| CAS_number_Ref = {{cascite|correct|??}}
| EINECS = 200-889-7
| UNNumber = 1120 | CAS_number = 50-81-7
| DrugBank = DB03900 | ATC_prefix = A
| ATC_suffix = 11G
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| ChEBI_Ref = {{ebicite|correct|EBI}}
| MeSHName = tert-Butyl+Alcohol
| ChEBI = 45895 | ChEBI = 29073
| PubChem = 5785
| ChEBI_Ref = {{ebicite|changed|EBI}}
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| ChEMBL = 16502
| DrugBank = DB00126
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| RTECS = EO1925000
| ChemSpiderID = 10189562
| Beilstein = 906698
| Gmelin = 1833 | NIAID_ChemDB = 002072
| UNII_Ref = {{fdacite|correct|FDA}}
| SMILES = CC(C)(C)O
| UNII = PQ6CK8PD0R
| StdInChI = 1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D00018
| StdInChIKey = DKGAVHZHDRPRBM-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 196
}}

| Section2 = {{Chembox Properties
<!--Chemical data-->
| C = 4
| H = 10 | chemical_formula =
| O = 1 | C=6 | H=7 | O=6
| molecular_weight = 176.12 g/]
| ExactMass = 74.073164942 g mol<sup>−1</sup>
| smiles = C((1C(=C(C(=O)O1)O)O)O)O
| Density = 780.9 mg cm<sup>−3</sup>
| InChI = 1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
| Appearance = Colorless liquid
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| Odor = Camphorous
| StdInChI = 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
| MeltingPtKL = 298
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| MeltingPtKH = 299
| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
| BoilingPtKL = 355
| synonyms = <small>L</small>-ascorbic acid
| BoilingPtKH = 356
| LogP = 0.584 | density = 1.694
| melting_point = 190
| VaporPressure = 4.1 kPa (at 20 °C)
| RefractIndex = 1.387 | boiling_point = 553
}}
| Section3 = {{Chembox Thermochemistry
| DeltaHf = −360.04–−358.36 kJ mol<sup>−1</sup>
| DeltaHc = −2.64479–−2.64321 MJ mol<sup>−1</sup>
| Entropy = 189.5 J K<sup>−1</sup> mol<sup>−1</sup>
| HeatCapacity = 215.37 J K<sup>−1</sup> mol<sup>−1</sup>
}}
| Section4 = {{Chembox Hazards
| ExternalMSDS =
| GHSPictograms = {{GHS flame}} {{GHS exclamation mark}}
| GHSSignalWord = '''DANGER'''
| HPhrases = {{H-phrases|225|319|332|335}}
| PPhrases = {{P-phrases|210|261|305+351+338}}
| EUIndex = 603-005-00-1
| EUClass = {{Hazchem F}} {{Hazchem Xn}}
| RPhrases = {{R11}}, {{R20}}, {{R36/37}}
| SPhrases = {{S2}}, {{S9}}, {{S16}}, {{S46}}
| NFPA-H = 1
| NFPA-F = 3
| NFPA-R = 0
| FlashPt = 11 °C
| Autoignition = 480 °C
| ExploLimits = 2.4–8.0%
}}
| Section5 = {{Chembox Related
| Function = ]s
| OtherFunctn = ]<br />
]<br />
]<br />
| OtherCpds = ]
}}
}} }}

Latest revision as of 14:25, 29 January 2022

This page contains a copy of the infobox ({{drugbox}}) taken from revid 477243833 of page Vitamin_C with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other namesL-ascorbic acid
AHFS/Drugs.comMultum Consumer Information
Pregnancy
category
  • A
Routes of
administration		oral
ATC code
Legal status
Legal status
  • general public availability
Pharmacokinetic data
Bioavailabilityrapid & complete
Protein bindingnegligible
Elimination half-lifevaries according to plasma concentration
Excretionrenal
Identifiers
IUPAC name
  • 2-Oxo-L-threo-hexono-1,4-lactone-2,3-enediol
    or
    (R)-3,4-dihydroxy-5-((S)- 1,2-dihydroxyethyl)furan-2(5H)-one
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
Chemical and physical data
FormulaC6H7O6
Molar mass176.12 g/mole g·mol
3D model (JSmol)
Density1.694 g/cm
Melting point190 °C (374 °F)
Boiling point553 °C (1,027 °F)
SMILES
  • C((1C(=C(C(=O)O1)O)O)O)O
InChI
  • InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
  • Key:CIWBSHSKHKDKBQ-JLAZNSOCSA-N
  (verify)